N-(2-chloranyl-5-nitro-phenyl)-4-pyridin-1-ium-2-yl-piperazine-1-carbothioamide

Systemtic Name: N-(2-chloranyl-5-nitro-phenyl)-4-pyridin-1-ium-2-yl-piperazine-1-carbothioamide Openeye Name: N-(2-chloro-5-nitro-phenyl)-4-pyridin-1-ium-2-yl-piperazine-1-carbothioamide CAS Name: N-(2-chloro-5-nitrophenyl)-4-(2-pyridin-1-iumyl)-1-piperazinecarbothioamide IUPAC Name: N-(2-chloro-5-nitrophenyl)-4-pyridin-1-ium-2-ylpiperazine-1-carbothioamide Traditional Name: N-(2-chloro-5-nitro-phenyl)-4-pyridin-1-ium-2-yl-piperazine-1-carbothioamide Formula: C16H17ClN5O2S+ MolecularWeight: 378.85648

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H16ClN5O2S/c17-13-5-4-12(22(23)24)11-14(13)19-16(25)21-9-7-20(8-10-21)15-3-1-2-6-18-15/h1-6,11H,7-10H2,(H,19,25)/p+1