4-pyridin-1-ium-2-yl-N-(3,4,5-trimethoxyphenyl)piperazine-1-carbothioamide

Systemtic Name: 4-pyridin-1-ium-2-yl-N-(3,4,5-trimethoxyphenyl)piperazine-1-carbothioamide Openeye Name: 4-pyridin-1-ium-2-yl-N-(3,4,5-trimethoxyphenyl)piperazine-1-carbothioamide CAS Name: 4-(2-pyridin-1-iumyl)-N-(3,4,5-trimethoxyphenyl)-1-piperazinecarbothioamide IUPAC Name: 4-pyridin-1-ium-2-yl-N-(3,4,5-trimethoxyphenyl)piperazine-1-carbothioamide Traditional Name: 4-pyridin-1-ium-2-yl-N-(3,4,5-trimethoxyphenyl)piperazine-1-carbothioamide Formula: C19H25N4O3S+ MolecularWeight: 389.4918

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)NC(=S)N2CCN(CC2)C3=CC=CC=[NH+]3

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)NC(=S)N2CCN(CC2)C3=CC=CC=[NH+]3

InChI

InChI=1S/C19H24N4O3S/c1-24-15-12-14(13-16(25-2)18(15)26-3)21-19(27)23-10-8-22(9-11-23)17-6-4-5-7-20-17/h4-7,12-13H,8-11H2,1-3H3,(H,21,27)/p+1