2-[(4-acetamidophenyl)sulfonyl-methyl-amino]-N-(3-piperidin-1-ium-1-ylpropyl)ethanamide

Systemtic Name: 2-[(4-acetamidophenyl)sulfonyl-methyl-amino]-N-(3-piperidin-1-ium-1-ylpropyl)ethanamide Openeye Name: 2-[(4-acetamidophenyl)sulfonyl-methyl-amino]-N-(3-piperidin-1-ium-1-ylpropyl)acetamide CAS Name: 2-[(4-acetamidophenyl)sulfonyl-methylamino]-N-[3-(1-piperidin-1-iumyl)propyl]acetamide IUPAC Name: 2-[(4-acetamidophenyl)sulfonyl-methylamino]-N-(3-piperidin-1-ium-1-ylpropyl)acetamide Traditional Name: 2-[(4-acetamidophenyl)sulfonyl-methyl-amino]-N-(3-piperidin-1-ium-1-ylpropyl)acetamide Formula: C19H31N4O4S+ MolecularWeight: 411.53884

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)S(=O)(=O)N(C)CC(=O)NCCC[NH+]2CCCCC2

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)S(=O)(=O)N(C)CC(=O)NCCC[NH+]2CCCCC2

InChI

InChI=1S/C19H30N4O4S/c1-16(24)21-17-7-9-18(10-8-17)28(26,27)22(2)15-19(25)20-11-6-14-23-12-4-3-5-13-23/h7-10H,3-6,11-15H2,1-2H3,(H,20,25)(H,21,24)/p+1