1-(2-methoxy-5-methyl-phenyl)sulfonyl-4-(phenylmethyl)piperazin-4-ium

Systemtic Name: 1-(2-methoxy-5-methyl-phenyl)sulfonyl-4-(phenylmethyl)piperazin-4-ium Openeye Name: 1-benzyl-4-(2-methoxy-5-methyl-phenyl)sulfonyl-piperazin-1-ium CAS Name: 1-(2-methoxy-5-methylphenyl)sulfonyl-4-(phenylmethyl)piperazin-4-ium IUPAC Name: 1-benzyl-4-(2-methoxy-5-methylphenyl)sulfonylpiperazin-1-ium Traditional Name: 1-benzyl-4-(2-methoxy-5-methyl-phenyl)sulfonyl-piperazin-1-ium Formula: C19H25N2O3S+ MolecularWeight: 361.4784

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H24N2O3S/c1-16-8-9-18(24-2)19(14-16)25(22,23)21-12-10-20(11-13-21)15-17-6-4-3-5-7-17/h3-9,14H,10-13,15H2,1-2H3/p+1