(2-aminophenyl)-[4-(5-nitropyridin-1-ium-2-yl)piperazin-1-yl]methanone

Systemtic Name: (2-aminophenyl)-[4-(5-nitropyridin-1-ium-2-yl)piperazin-1-yl]methanone Openeye Name: (2-aminophenyl)-[4-(5-nitropyridin-1-ium-2-yl)piperazin-1-yl]methanone CAS Name: (2-aminophenyl)-[4-(5-nitro-2-pyridin-1-iumyl)-1-piperazinyl]methanone IUPAC Name: (2-aminophenyl)-[4-(5-nitropyridin-1-ium-2-yl)piperazin-1-yl]methanone Traditional Name: (2-aminophenyl)-[4-(5-nitropyridin-1-ium-2-yl)piperazino]methanone Formula: C16H18N5O3+ MolecularWeight: 328.34582

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=[NH+]C=C(C=C2)[N+](=O)[O-])C(=O)C3=CC=CC=C3N

Isomeric SMILES

C1CN(CCN1C2=[NH+]C=C(C=C2)[N+](=O)[O-])C(=O)C3=CC=CC=C3N

InChI

InChI=1S/C16H17N5O3/c17-14-4-2-1-3-13(14)16(22)20-9-7-19(8-10-20)15-6-5-12(11-18-15)21(23)24/h1-6,11H,7-10,17H2/p+1