[4-(5-nitropyridin-1-ium-2-yl)-1,4-diazepan-1-yl]-phenyl-methanone

Systemtic Name: [4-(5-nitropyridin-1-ium-2-yl)-1,4-diazepan-1-yl]-phenyl-methanone Openeye Name: [4-(5-nitropyridin-1-ium-2-yl)-1,4-diazepan-1-yl]-phenyl-methanone CAS Name: [4-(5-nitro-2-pyridin-1-iumyl)-1,4-diazepan-1-yl]-phenylmethanone IUPAC Name: [4-(5-nitropyridin-1-ium-2-yl)-1,4-diazepan-1-yl]-phenylmethanone Traditional Name: [4-(5-nitropyridin-1-ium-2-yl)-1,4-diazepan-1-yl]-phenyl-methanone Formula: C17H19N4O3+ MolecularWeight: 327.35776

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)C2=CC=CC=C2)C3=[NH+]C=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN(C1)C(=O)C2=CC=CC=C2)C3=[NH+]C=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H18N4O3/c22-17(14-5-2-1-3-6-14)20-10-4-9-19(11-12-20)16-8-7-15(13-18-16)21(23)24/h1-3,5-8,13H,4,9-12H2/p+1