N-(4-pyridin-1-ium-2-ylpiperazin-1-yl)carbothioylbenzamide

Systemtic Name: N-(4-pyridin-1-ium-2-ylpiperazin-1-yl)carbothioylbenzamide Openeye Name: N-(4-pyridin-1-ium-2-ylpiperazine-1-carbothioyl)benzamide CAS Name: N-[[4-(2-pyridin-1-iumyl)-1-piperazinyl]-sulfanylidenemethyl]benzamide IUPAC Name: N-(4-pyridin-1-ium-2-ylpiperazine-1-carbothioyl)benzamide Traditional Name: N-(4-pyridin-1-ium-2-ylpiperazine-1-carbothioyl)benzamide Formula: C17H19N4OS+ MolecularWeight: 327.42396

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=[NH+]2)C(=S)NC(=O)C3=CC=CC=C3

Isomeric SMILES

C1CN(CCN1C2=CC=CC=[NH+]2)C(=S)NC(=O)C3=CC=CC=C3

InChI

InChI=1S/C17H18N4OS/c22-16(14-6-2-1-3-7-14)19-17(23)21-12-10-20(11-13-21)15-8-4-5-9-18-15/h1-9H,10-13H2,(H,19,22,23)/p+1