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

Systemtic Name: 5-nitro-1-[[4-(phenylmethyl)piperidin-1-ium-1-yl]methyl]pyridin-2-one Openeye Name: 1-[(4-benzylpiperidin-1-ium-1-yl)methyl]-5-nitro-pyridin-2-one CAS Name: 5-nitro-1-[[4-(phenylmethyl)-1-piperidin-1-iumyl]methyl]-2-pyridinone IUPAC Name: 1-[(4-benzylpiperidin-1-ium-1-yl)methyl]-5-nitropyridin-2-one Traditional Name: 1-[(4-benzylpiperidin-1-ium-1-yl)methyl]-5-nitro-2-pyridone Formula: C18H22N3O3+ MolecularWeight: 328.38558

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1CC2=CC=CC=C2)CN3C=C(C=CC3=O)[N+](=O)[O-]

Isomeric SMILES

C1C[NH+](CCC1CC2=CC=CC=C2)CN3C=C(C=CC3=O)[N+](=O)[O-]

InChI

InChI=1S/C18H21N3O3/c22-18-7-6-17(21(23)24)13-20(18)14-19-10-8-16(9-11-19)12-15-4-2-1-3-5-15/h1-7,13,16H,8-12,14H2/p+1