N-(3-methylphenyl)-N-[4-oxidanylidene-4-[4-(phenylmethyl)piperazin-4-ium-1-yl]butyl]methanesulfonamide

Systemtic Name: N-(3-methylphenyl)-N-[4-oxidanylidene-4-[4-(phenylmethyl)piperazin-4-ium-1-yl]butyl]methanesulfonamide Openeye Name: N-[4-(4-benzylpiperazin-4-ium-1-yl)-4-oxo-butyl]-N-(m-tolyl)methanesulfonamide CAS Name: N-(3-methylphenyl)-N-[4-oxo-4-[4-(phenylmethyl)-1-piperazin-4-iumyl]butyl]methanesulfonamide IUPAC Name: N-[4-(4-benzylpiperazin-4-ium-1-yl)-4-oxobutyl]-N-(3-methylphenyl)methanesulfonamide Traditional Name: N-[4-(4-benzylpiperazin-4-ium-1-yl)-4-keto-butyl]-N-(m-tolyl)methanesulfonamide Formula: C23H32N3O3S+ MolecularWeight: 430.58348

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N(CCCC(=O)N2CC[NH+](CC2)CC3=CC=CC=C3)S(=O)(=O)C

Isomeric SMILES

CC1=CC(=CC=C1)N(CCCC(=O)N2CC[NH+](CC2)CC3=CC=CC=C3)S(=O)(=O)C

InChI

InChI=1S/C23H31N3O3S/c1-20-8-6-11-22(18-20)26(30(2,28)29)13-7-12-23(27)25-16-14-24(15-17-25)19-21-9-4-3-5-10-21/h3-6,8-11,18H,7,12-17,19H2,1-2H3/p+1