N-(4-methylphenyl)sulfonyl-4-(phenylmethyl)piperazin-4-ium-1-carboxamide

Systemtic Name: N-(4-methylphenyl)sulfonyl-4-(phenylmethyl)piperazin-4-ium-1-carboxamide Openeye Name: 4-benzyl-N-(p-tolylsulfonyl)piperazin-4-ium-1-carboxamide CAS Name: N-(4-methylphenyl)sulfonyl-4-(phenylmethyl)-1-piperazin-4-iumcarboxamide IUPAC Name: 4-benzyl-N-(4-methylphenyl)sulfonylpiperazin-4-ium-1-carboxamide Traditional Name: 4-benzyl-N-tosyl-piperazin-4-ium-1-carboxamide Formula: C19H24N3O3S+ MolecularWeight: 374.47716

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H23N3O3S/c1-16-7-9-18(10-8-16)26(24,25)20-19(23)22-13-11-21(12-14-22)15-17-5-3-2-4-6-17/h2-10H,11-15H2,1H3,(H,20,23)/p+1