N-phenyl-4-pyridin-1-ium-2-yl-piperazine-1-carbothioamide

Systemtic Name: N-phenyl-4-pyridin-1-ium-2-yl-piperazine-1-carbothioamide Openeye Name: N-phenyl-4-pyridin-1-ium-2-yl-piperazine-1-carbothioamide CAS Name: N-phenyl-4-(2-pyridin-1-iumyl)-1-piperazinecarbothioamide IUPAC Name: N-phenyl-4-pyridin-1-ium-2-ylpiperazine-1-carbothioamide Traditional Name: N-phenyl-4-pyridin-1-ium-2-yl-piperazine-1-carbothioamide Formula: C16H19N4S+ MolecularWeight: 299.41386

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=[NH+]2)C(=S)NC3=CC=CC=C3

Isomeric SMILES

C1CN(CCN1C2=CC=CC=[NH+]2)C(=S)NC3=CC=CC=C3

InChI

InChI=1S/C16H18N4S/c21-16(18-14-6-2-1-3-7-14)20-12-10-19(11-13-20)15-8-4-5-9-17-15/h1-9H,10-13H2,(H,18,21)/p+1