N-[3-[1-methyl-4-(2-methylphenyl)piperazin-4-ium-2-yl]phenyl]butane-1-sulfonamide chloride

Systemtic Name: N-[3-[1-methyl-4-(2-methylphenyl)piperazin-4-ium-2-yl]phenyl]butane-1-sulfonamide chloride Openeye Name: N-[3-[1-methyl-4-(o-tolyl)piperazin-4-ium-2-yl]phenyl]butane-1-sulfonamide chloride CAS Name: N-[3-[1-methyl-4-(2-methylphenyl)-2-piperazin-4-iumyl]phenyl]-1-butanesulfonamide chloride IUPAC Name: N-[3-[1-methyl-4-(2-methylphenyl)piperazin-4-ium-2-yl]phenyl]butane-1-sulfonamide chloride Traditional Name: N-[3-[1-methyl-4-(o-tolyl)piperazin-4-ium-2-yl]phenyl]butane-1-sulfonamide chloride Formula: C22H32ClN3O2S MolecularWeight: 438.02638

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Descriptors Computed from Structure

Canonical SMILES:

CCCCS(=O)(=O)NC1=CC=CC(=C1)C2C[NH+](CCN2C)C3=CC=CC=C3C.[Cl-]

Isomeric SMILES

CCCCS(=O)(=O)NC1=CC=CC(=C1)C2C[NH+](CCN2C)C3=CC=CC=C3C.[Cl-]

InChI

InChI=1S/C22H31N3O2S.ClH/c1-4-5-15-28(26,27)23-20-11-8-10-19(16-20)22-17-25(14-13-24(22)3)21-12-7-6-9-18(21)2;/h6-12,16,22-23H,4-5,13-15,17H2,1-3H3;1H