N-(3-nitrophenyl)-4-pyridin-1-ium-2-yl-piperazine-1-carbothioamide

Systemtic Name: N-(3-nitrophenyl)-4-pyridin-1-ium-2-yl-piperazine-1-carbothioamide Openeye Name: N-(3-nitrophenyl)-4-pyridin-1-ium-2-yl-piperazine-1-carbothioamide CAS Name: N-(3-nitrophenyl)-4-(2-pyridin-1-iumyl)-1-piperazinecarbothioamide IUPAC Name: N-(3-nitrophenyl)-4-pyridin-1-ium-2-ylpiperazine-1-carbothioamide Traditional Name: N-(3-nitrophenyl)-4-pyridin-1-ium-2-yl-piperazine-1-carbothioamide Formula: C16H18N5O2S+ MolecularWeight: 344.41142

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H17N5O2S/c22-21(23)14-5-3-4-13(12-14)18-16(24)20-10-8-19(9-11-20)15-6-1-2-7-17-15/h1-7,12H,8-11H2,(H,18,24)/p+1