N-[3,5-bis(chloranyl)phenyl]-4-(5-nitropyridin-1-ium-2-yl)piperazine-1-carboxamide

Systemtic Name: N-[3,5-bis(chloranyl)phenyl]-4-(5-nitropyridin-1-ium-2-yl)piperazine-1-carboxamide Openeye Name: N-(3,5-dichlorophenyl)-4-(5-nitropyridin-1-ium-2-yl)piperazine-1-carboxamide CAS Name: N-(3,5-dichlorophenyl)-4-(5-nitro-2-pyridin-1-iumyl)-1-piperazinecarboxamide IUPAC Name: N-(3,5-dichlorophenyl)-4-(5-nitropyridin-1-ium-2-yl)piperazine-1-carboxamide Traditional Name: N-(3,5-dichlorophenyl)-4-(5-nitropyridin-1-ium-2-yl)piperazine-1-carboxamide Formula: C16H16Cl2N5O3+ MolecularWeight: 397.23594

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H15Cl2N5O3/c17-11-7-12(18)9-13(8-11)20-16(24)22-5-3-21(4-6-22)15-2-1-14(10-19-15)23(25)26/h1-2,7-10H,3-6H2,(H,20,24)/p+1