1-(phenylmethyl)-4-(2,3,4-trimethylphenyl)sulfonyl-piperazin-1-ium

Systemtic Name: 1-(phenylmethyl)-4-(2,3,4-trimethylphenyl)sulfonyl-piperazin-1-ium Openeye Name: 1-benzyl-4-(2,3,4-trimethylphenyl)sulfonyl-piperazin-1-ium CAS Name: 1-(phenylmethyl)-4-(2,3,4-trimethylphenyl)sulfonylpiperazin-1-ium IUPAC Name: 1-benzyl-4-(2,3,4-trimethylphenyl)sulfonylpiperazin-1-ium Traditional Name: 1-benzyl-4-(2,3,4-trimethylphenyl)sulfonyl-piperazin-1-ium Formula: C20H27N2O2S+ MolecularWeight: 359.50558

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H26N2O2S/c1-16-9-10-20(18(3)17(16)2)25(23,24)22-13-11-21(12-14-22)15-19-7-5-4-6-8-19/h4-10H,11-15H2,1-3H3/p+1