N-[(4-chlorophenyl)methyl]-4-pyridin-1-ium-2-yl-piperazine-1-carbothioamide

Systemtic Name: N-[(4-chlorophenyl)methyl]-4-pyridin-1-ium-2-yl-piperazine-1-carbothioamide Openeye Name: N-[(4-chlorophenyl)methyl]-4-pyridin-1-ium-2-yl-piperazine-1-carbothioamide CAS Name: N-[(4-chlorophenyl)methyl]-4-(2-pyridin-1-iumyl)-1-piperazinecarbothioamide IUPAC Name: N-[(4-chlorophenyl)methyl]-4-pyridin-1-ium-2-ylpiperazine-1-carbothioamide Traditional Name: N-(4-chlorobenzyl)-4-pyridin-1-ium-2-yl-piperazine-1-carbothioamide Formula: C17H20ClN4S+ MolecularWeight: 347.8855

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=[NH+]2)C(=S)NCC3=CC=C(C=C3)Cl

Isomeric SMILES

C1CN(CCN1C2=CC=CC=[NH+]2)C(=S)NCC3=CC=C(C=C3)Cl

InChI

InChI=1S/C17H19ClN4S/c18-15-6-4-14(5-7-15)13-20-17(23)22-11-9-21(10-12-22)16-3-1-2-8-19-16/h1-8H,9-13H2,(H,20,23)/p+1