4-(azepan-1-ylsulfonyl)-N-(4-methylpiperazin-4-ium-1-yl)benzamide

Systemtic Name: 4-(azepan-1-ylsulfonyl)-N-(4-methylpiperazin-4-ium-1-yl)benzamide Openeye Name: 4-(azepan-1-ylsulfonyl)-N-(4-methylpiperazin-4-ium-1-yl)benzamide CAS Name: 4-(1-azepanylsulfonyl)-N-(4-methyl-1-piperazin-4-iumyl)benzamide IUPAC Name: 4-(azepan-1-ylsulfonyl)-N-(4-methylpiperazin-4-ium-1-yl)benzamide Traditional Name: 4-(azepan-1-ylsulfonyl)-N-(4-methylpiperazin-4-ium-1-yl)benzamide Formula: C18H29N4O3S+ MolecularWeight: 381.51286

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)NC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

C[NH+]1CCN(CC1)NC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C18H28N4O3S/c1-20-12-14-21(15-13-20)19-18(23)16-6-8-17(9-7-16)26(24,25)22-10-4-2-3-5-11-22/h6-9H,2-5,10-15H2,1H3,(H,19,23)/p+1