N-(3,5-dimethoxyphenyl)-4-(phenylmethyl)piperazin-4-ium-1-carbothioamide

Systemtic Name: N-(3,5-dimethoxyphenyl)-4-(phenylmethyl)piperazin-4-ium-1-carbothioamide Openeye Name: 4-benzyl-N-(3,5-dimethoxyphenyl)piperazin-4-ium-1-carbothioamide CAS Name: N-(3,5-dimethoxyphenyl)-4-(phenylmethyl)-1-piperazin-4-iumcarbothioamide IUPAC Name: 4-benzyl-N-(3,5-dimethoxyphenyl)piperazin-4-ium-1-carbothioamide Traditional Name: 4-benzyl-N-(3,5-dimethoxyphenyl)piperazin-4-ium-1-carbothioamide Formula: C20H26N3O2S+ MolecularWeight: 372.50434

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1)NC(=S)N2CC[NH+](CC2)CC3=CC=CC=C3)OC

Isomeric SMILES

COC1=CC(=CC(=C1)NC(=S)N2CC[NH+](CC2)CC3=CC=CC=C3)OC

InChI

InChI=1S/C20H25N3O2S/c1-24-18-12-17(13-19(14-18)25-2)21-20(26)23-10-8-22(9-11-23)15-16-6-4-3-5-7-16/h3-7,12-14H,8-11,15H2,1-2H3,(H,21,26)/p+1