2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)benzenecarbothioamide

Systemtic Name: 2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)benzenecarbothioamide Openeye Name: 2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)benzenecarbothioamide CAS Name: 2-[4-(2-pyridin-1-iumyl)-1-piperazinyl]benzenecarbothioamide IUPAC Name: 2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)benzenecarbothioamide Traditional Name: 2-(4-pyridin-1-ium-2-ylpiperazino)thiobenzamide Formula: C16H19N4S+ MolecularWeight: 299.41386

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=C2C(=S)N)C3=CC=CC=[NH+]3

Isomeric SMILES

C1CN(CCN1C2=CC=CC=C2C(=S)N)C3=CC=CC=[NH+]3

InChI

InChI=1S/C16H18N4S/c17-16(21)13-5-1-2-6-14(13)19-9-11-20(12-10-19)15-7-3-4-8-18-15/h1-8H,9-12H2,(H2,17,21)/p+1