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

Systemtic Name: N-(4-bromophenyl)-4-pyridin-1-ium-2-yl-piperazine-1-carbothioamide Openeye Name: N-(4-bromophenyl)-4-pyridin-1-ium-2-yl-piperazine-1-carbothioamide CAS Name: N-(4-bromophenyl)-4-(2-pyridin-1-iumyl)-1-piperazinecarbothioamide IUPAC Name: N-(4-bromophenyl)-4-pyridin-1-ium-2-ylpiperazine-1-carbothioamide Traditional Name: N-(4-bromophenyl)-4-pyridin-1-ium-2-yl-piperazine-1-carbothioamide Formula: C16H18BrN4S+ MolecularWeight: 378.30992

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H17BrN4S/c17-13-4-6-14(7-5-13)19-16(22)21-11-9-20(10-12-21)15-3-1-2-8-18-15/h1-8H,9-12H2,(H,19,22)/p+1