N-methyl-N-[4-[4-(phenylmethyl)piperazin-4-ium-1-yl]carbonylphenyl]methanesulfonamide

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

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1=CC=C(C=C1)C(=O)N2CC[NH+](CC2)CC3=CC=CC=C3)S(=O)(=O)C

Isomeric SMILES

CN(C1=CC=C(C=C1)C(=O)N2CC[NH+](CC2)CC3=CC=CC=C3)S(=O)(=O)C

InChI

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