N-(3-methoxyphenyl)-4-pyridin-1-ium-2-yl-piperazine-1-carbothioamide

Systemtic Name: N-(3-methoxyphenyl)-4-pyridin-1-ium-2-yl-piperazine-1-carbothioamide Openeye Name: N-(3-methoxyphenyl)-4-pyridin-1-ium-2-yl-piperazine-1-carbothioamide CAS Name: N-(3-methoxyphenyl)-4-(2-pyridin-1-iumyl)-1-piperazinecarbothioamide IUPAC Name: N-(3-methoxyphenyl)-4-pyridin-1-ium-2-ylpiperazine-1-carbothioamide Traditional Name: N-(3-methoxyphenyl)-4-pyridin-1-ium-2-yl-piperazine-1-carbothioamide Formula: C17H21N4OS+ MolecularWeight: 329.43984

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)NC(=S)N2CCN(CC2)C3=CC=CC=[NH+]3

Isomeric SMILES

COC1=CC=CC(=C1)NC(=S)N2CCN(CC2)C3=CC=CC=[NH+]3

InChI

InChI=1S/C17H20N4OS/c1-22-15-6-4-5-14(13-15)19-17(23)21-11-9-20(10-12-21)16-7-2-3-8-18-16/h2-8,13H,9-12H2,1H3,(H,19,23)/p+1