(2,4-dimethoxyphenyl)-[4-(diphenylmethyl)piperazin-4-ium-1-yl]methanethione

Systemtic Name: (2,4-dimethoxyphenyl)-[4-(diphenylmethyl)piperazin-4-ium-1-yl]methanethione Openeye Name: (4-benzhydrylpiperazin-4-ium-1-yl)-(2,4-dimethoxyphenyl)methanethione CAS Name: (2,4-dimethoxyphenyl)-[4-(diphenylmethyl)-1-piperazin-4-iumyl]methanethione IUPAC Name: (4-benzhydrylpiperazin-4-ium-1-yl)-(2,4-dimethoxyphenyl)methanethione Traditional Name: (4-benzhydrylpiperazin-4-ium-1-yl)-(2,4-dimethoxyphenyl)methanethione Formula: C26H29N2O2S+ MolecularWeight: 433.58566

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H28N2O2S/c1-29-22-13-14-23(24(19-22)30-2)26(31)28-17-15-27(16-18-28)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