N-(4-bromanyl-2-chloranyl-phenyl)-4-pyridin-1-ium-2-yl-piperazine-1-carbothioamide

Systemtic Name: N-(4-bromanyl-2-chloranyl-phenyl)-4-pyridin-1-ium-2-yl-piperazine-1-carbothioamide Openeye Name: N-(4-bromo-2-chloro-phenyl)-4-pyridin-1-ium-2-yl-piperazine-1-carbothioamide CAS Name: N-(4-bromo-2-chlorophenyl)-4-(2-pyridin-1-iumyl)-1-piperazinecarbothioamide IUPAC Name: N-(4-bromo-2-chlorophenyl)-4-pyridin-1-ium-2-ylpiperazine-1-carbothioamide Traditional Name: N-(4-bromo-2-chloro-phenyl)-4-pyridin-1-ium-2-yl-piperazine-1-carbothioamide Formula: C16H17BrClN4S+ MolecularWeight: 412.75498

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H16BrClN4S/c17-12-4-5-14(13(18)11-12)20-16(23)22-9-7-21(8-10-22)15-3-1-2-6-19-15/h1-6,11H,7-10H2,(H,20,23)/p+1