N-[2-methyl-3-[4-(phenylmethyl)piperazin-4-ium-1-yl]carbonyl-phenyl]methanesulfonamide

Systemtic Name: N-[2-methyl-3-[4-(phenylmethyl)piperazin-4-ium-1-yl]carbonyl-phenyl]methanesulfonamide Openeye Name: N-[3-(4-benzylpiperazin-4-ium-1-carbonyl)-2-methyl-phenyl]methanesulfonamide CAS Name: N-[2-methyl-3-[oxo-[4-(phenylmethyl)-1-piperazin-4-iumyl]methyl]phenyl]methanesulfonamide IUPAC Name: N-[3-(4-benzylpiperazin-4-ium-1-carbonyl)-2-methylphenyl]methanesulfonamide Traditional Name: N-[3-(4-benzylpiperazin-4-ium-1-carbonyl)-2-methyl-phenyl]methanesulfonamide Formula: C20H26N3O3S+ MolecularWeight: 388.50374

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1NS(=O)(=O)C)C(=O)N2CC[NH+](CC2)CC3=CC=CC=C3

Isomeric SMILES

CC1=C(C=CC=C1NS(=O)(=O)C)C(=O)N2CC[NH+](CC2)CC3=CC=CC=C3

InChI

InChI=1S/C20H25N3O3S/c1-16-18(9-6-10-19(16)21-27(2,25)26)20(24)23-13-11-22(12-14-23)15-17-7-4-3-5-8-17/h3-10,21H,11-15H2,1-2H3/p+1