(2-azanyl-5-chloranyl-phenyl)-[4-(5-nitropyridin-1-ium-2-yl)piperazin-1-yl]methanone

Systemtic Name: (2-azanyl-5-chloranyl-phenyl)-[4-(5-nitropyridin-1-ium-2-yl)piperazin-1-yl]methanone Openeye Name: (2-amino-5-chloro-phenyl)-[4-(5-nitropyridin-1-ium-2-yl)piperazin-1-yl]methanone CAS Name: (2-amino-5-chlorophenyl)-[4-(5-nitro-2-pyridin-1-iumyl)-1-piperazinyl]methanone IUPAC Name: (2-amino-5-chlorophenyl)-[4-(5-nitropyridin-1-ium-2-yl)piperazin-1-yl]methanone Traditional Name: (2-amino-5-chloro-phenyl)-[4-(5-nitropyridin-1-ium-2-yl)piperazino]methanone Formula: C16H17ClN5O3+ MolecularWeight: 362.79088

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H16ClN5O3/c17-11-1-3-14(18)13(9-11)16(23)21-7-5-20(6-8-21)15-4-2-12(10-19-15)22(24)25/h1-4,9-10H,5-8,18H2/p+1