1-[[4-(azepan-1-ylcarbonyl)piperidin-1-ium-1-yl]methyl]-5-nitro-pyridin-2-one

Systemtic Name: 1-[[4-(azepan-1-ylcarbonyl)piperidin-1-ium-1-yl]methyl]-5-nitro-pyridin-2-one Openeye Name: 1-[[4-(azepane-1-carbonyl)piperidin-1-ium-1-yl]methyl]-5-nitro-pyridin-2-one CAS Name: 1-[[4-[1-azepanyl(oxo)methyl]-1-piperidin-1-iumyl]methyl]-5-nitro-2-pyridinone IUPAC Name: 1-[[4-(azepane-1-carbonyl)piperidin-1-ium-1-yl]methyl]-5-nitropyridin-2-one Traditional Name: 1-[[4-(azepane-1-carbonyl)piperidin-1-ium-1-yl]methyl]-5-nitro-2-pyridone Formula: C18H27N4O4+ MolecularWeight: 363.43138

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)C2CC[NH+](CC2)CN3C=C(C=CC3=O)[N+](=O)[O-]

Isomeric SMILES

C1CCCN(CC1)C(=O)C2CC[NH+](CC2)CN3C=C(C=CC3=O)[N+](=O)[O-]

InChI

InChI=1S/C18H26N4O4/c23-17-6-5-16(22(25)26)13-21(17)14-19-11-7-15(8-12-19)18(24)20-9-3-1-2-4-10-20/h5-6,13,15H,1-4,7-12,14H2/p+1