1-(3,4-dimethylphenyl)sulfonyl-4-(diphenylmethyl)piperazin-4-ium

Systemtic Name: 1-(3,4-dimethylphenyl)sulfonyl-4-(diphenylmethyl)piperazin-4-ium Openeye Name: 1-benzhydryl-4-(3,4-dimethylphenyl)sulfonyl-piperazin-1-ium CAS Name: 1-(3,4-dimethylphenyl)sulfonyl-4-(diphenylmethyl)piperazin-4-ium IUPAC Name: 1-benzhydryl-4-(3,4-dimethylphenyl)sulfonylpiperazin-1-ium Traditional Name: 1-benzhydryl-4-(3,4-dimethylphenyl)sulfonyl-piperazin-1-ium Formula: C25H29N2O2S+ MolecularWeight: 421.57496

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)C(C3=CC=CC=C3)C4=CC=CC=C4)C

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)C(C3=CC=CC=C3)C4=CC=CC=C4)C

InChI

InChI=1S/C25H28N2O2S/c1-20-13-14-24(19-21(20)2)30(28,29)27-17-15-26(16-18-27)25(22-9-5-3-6-10-22)23-11-7-4-8-12-23/h3-14,19,25H,15-18H2,1-2H3/p+1