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

Systemtic Name: 4-methyl-N-(4-methylphenyl)sulfonyl-N-(phenylmethyl)piperazin-4-ium-1-carboxamide Openeye Name: N-benzyl-4-methyl-N-(p-tolylsulfonyl)piperazin-4-ium-1-carboxamide CAS Name: 4-methyl-N-(4-methylphenyl)sulfonyl-N-(phenylmethyl)-1-piperazin-4-iumcarboxamide IUPAC Name: N-benzyl-4-methyl-N-(4-methylphenyl)sulfonylpiperazin-4-ium-1-carboxamide Traditional Name: N-benzyl-4-methyl-N-tosyl-piperazin-4-ium-1-carboxamide Formula: C20H26N3O3S+ MolecularWeight: 388.50374

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N(CC2=CC=CC=C2)C(=O)N3CC[NH+](CC3)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N(CC2=CC=CC=C2)C(=O)N3CC[NH+](CC3)C

InChI

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