N-(4-methoxyphenyl)-4-[2-(4-methoxyphenyl)ethyl]piperazin-4-ium-1-carbothioamide

Systemtic Name: N-(4-methoxyphenyl)-4-[2-(4-methoxyphenyl)ethyl]piperazin-4-ium-1-carbothioamide Openeye Name: N-(4-methoxyphenyl)-4-[2-(4-methoxyphenyl)ethyl]piperazin-4-ium-1-carbothioamide CAS Name: N-(4-methoxyphenyl)-4-[2-(4-methoxyphenyl)ethyl]-1-piperazin-4-iumcarbothioamide IUPAC Name: N-(4-methoxyphenyl)-4-[2-(4-methoxyphenyl)ethyl]piperazin-4-ium-1-carbothioamide Traditional Name: N-(4-methoxyphenyl)-4-[2-(4-methoxyphenyl)ethyl]piperazin-4-ium-1-carbothioamide Formula: C21H28N3O2S+ MolecularWeight: 386.53092

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CC[NH+]2CCN(CC2)C(=S)NC3=CC=C(C=C3)OC

Isomeric SMILES

COC1=CC=C(C=C1)CC[NH+]2CCN(CC2)C(=S)NC3=CC=C(C=C3)OC

InChI

InChI=1S/C21H27N3O2S/c1-25-19-7-3-17(4-8-19)11-12-23-13-15-24(16-14-23)21(27)22-18-5-9-20(26-2)10-6-18/h3-10H,11-16H2,1-2H3,(H,22,27)/p+1