7K7
5-[[(2~{R})-2-methyl-1,4-diazepan-4-ium-1-yl]sulfonyl]isoquinoline
Find entries where: 7K7
is present as a standalone ligand in 1 entries
Chemical Component Summary | |
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Name | 5-[[(2~{R})-2-methyl-1,4-diazepan-4-ium-1-yl]sulfonyl]isoquinoline |
Identifiers | 5-[[(2~{R})-2-methyl-1,4-diazepan-4-ium-1-yl]sulfonyl]isoquinoline |
Formula | C15 H20 N3 O2 S |
Molecular Weight | 306.403 |
Type | NON-POLYMER |
Isomeric SMILES | C[C@@H]1C[NH2+]CCCN1S(=O)(=O)c2cccc3c2ccnc3 |
InChI | InChI=1S/C15H19N3O2S/c1-12-10-16-7-3-9-18(12)21(19,20)15-5-2-4-13-11-17-8-6-14(13)15/h2,4-6,8,11-12,16H,3,7,9-10H2,1H3/p+1/t12-/m1/s1 |
InChIKey | DSOQHHGSXZTTAQ-GFCCVEGCSA-O |
Chemical Details | |
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Formal Charge | 1 |
Atom Count | 41 |
Chiral Atom Count | 1 |
Bond Count | 43 |
Aromatic Bond Count | 11 |
Related Resource References
Resource Name | Reference |
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PubChem | 137348629 |