N-(3,4-dichlorophenyl)-4-(5-nitropyridin-1-ium-2-yl)piperazine-1-carbothioamide

Systemtic Name: N-(3,4-dichlorophenyl)-4-(5-nitropyridin-1-ium-2-yl)piperazine-1-carbothioamide Openeye Name: N-(3,4-dichlorophenyl)-4-(5-nitropyridin-1-ium-2-yl)piperazine-1-carbothioamide CAS Name: N-(3,4-dichlorophenyl)-4-(5-nitro-2-pyridin-1-iumyl)-1-piperazinecarbothioamide IUPAC Name: N-(3,4-dichlorophenyl)-4-(5-nitropyridin-1-ium-2-yl)piperazine-1-carbothioamide Traditional Name: N-(3,4-dichlorophenyl)-4-(5-nitropyridin-1-ium-2-yl)piperazine-1-carbothioamide Formula: C16H16Cl2N5O2S+ MolecularWeight: 413.30154

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=[NH+]C=C(C=C2)[N+](=O)[O-])C(=S)NC3=CC(=C(C=C3)Cl)Cl

Isomeric SMILES

C1CN(CCN1C2=[NH+]C=C(C=C2)[N+](=O)[O-])C(=S)NC3=CC(=C(C=C3)Cl)Cl

InChI

InChI=1S/C16H15Cl2N5O2S/c17-13-3-1-11(9-14(13)18)20-16(26)22-7-5-21(6-8-22)15-4-2-12(10-19-15)23(24)25/h1-4,9-10H,5-8H2,(H,20,26)/p+1