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

Systemtic Name: 1-(3,4-dimethoxyphenyl)sulfonyl-4-(diphenylmethyl)piperazin-4-ium Openeye Name: 1-benzhydryl-4-(3,4-dimethoxyphenyl)sulfonyl-piperazin-1-ium CAS Name: 1-(3,4-dimethoxyphenyl)sulfonyl-4-(diphenylmethyl)piperazin-4-ium IUPAC Name: 1-benzhydryl-4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-ium Traditional Name: 1-benzhydryl-4-(3,4-dimethoxyphenyl)sulfonyl-piperazin-1-ium Formula: C25H29N2O4S+ MolecularWeight: 453.57376

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)C(C3=CC=CC=C3)C4=CC=CC=C4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)C(C3=CC=CC=C3)C4=CC=CC=C4)OC

InChI

InChI=1S/C25H28N2O4S/c1-30-23-14-13-22(19-24(23)31-2)32(28,29)27-17-15-26(16-18-27)25(20-9-5-3-6-10-20)21-11-7-4-8-12-21/h3-14,19,25H,15-18H2,1-2H3/p+1