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

Systemtic Name: N-(3-chlorophenyl)-4-pyridin-1-ium-2-yl-piperazine-1-carbothioamide Openeye Name: N-(3-chlorophenyl)-4-pyridin-1-ium-2-yl-piperazine-1-carbothioamide CAS Name: N-(3-chlorophenyl)-4-(2-pyridin-1-iumyl)-1-piperazinecarbothioamide IUPAC Name: N-(3-chlorophenyl)-4-pyridin-1-ium-2-ylpiperazine-1-carbothioamide Traditional Name: N-(3-chlorophenyl)-4-pyridin-1-ium-2-yl-piperazine-1-carbothioamide Formula: C16H18ClN4S+ MolecularWeight: 333.85892

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H17ClN4S/c17-13-4-3-5-14(12-13)19-16(22)21-10-8-20(9-11-21)15-6-1-2-7-18-15/h1-7,12H,8-11H2,(H,19,22)/p+1