N-[2-(3,4-dimethoxyphenyl)ethyl]-4-(diphenylmethyl)piperazin-4-ium-1-carbothioamide

Systemtic Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-4-(diphenylmethyl)piperazin-4-ium-1-carbothioamide Openeye Name: 4-benzhydryl-N-[2-(3,4-dimethoxyphenyl)ethyl]piperazin-4-ium-1-carbothioamide CAS Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-4-(diphenylmethyl)-1-piperazin-4-iumcarbothioamide IUPAC Name: 4-benzhydryl-N-[2-(3,4-dimethoxyphenyl)ethyl]piperazin-4-ium-1-carbothioamide Traditional Name: 4-benzhydryl-N-homoveratryl-piperazin-4-ium-1-carbothioamide Formula: C28H34N3O2S+ MolecularWeight: 476.65346

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H33N3O2S/c1-32-25-14-13-22(21-26(25)33-2)15-16-29-28(34)31-19-17-30(18-20-31)27(23-9-5-3-6-10-23)24-11-7-4-8-12-24/h3-14,21,27H,15-20H2,1-2H3,(H,29,34)/p+1