[2-(4-methylphenyl)carbonyl-1-oxidanylidene-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-ium-5-yl] ethanoate

Systemtic Name: [2-(4-methylphenyl)carbonyl-1-oxidanylidene-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-ium-5-yl] ethanoate Openeye Name: [2-(4-methylbenzoyl)-1-oxo-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-ium-5-yl] acetate CAS Name: acetic acid [2-[(4-methylphenyl)-oxomethyl]-1-oxo-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-ium-5-yl] ester IUPAC Name: [2-(4-methylbenzoyl)-1-oxo-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-ium-5-yl] acetate Traditional Name: acetic acid (1-keto-2-p-toluoyl-2,3,4,4a,5,6,7,7a-octahydro-1-pyrindin-1-ium-5-yl) ester Formula: C18H22NO4+ MolecularWeight: 316.37158

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)C2CCC3C([N+]2=O)CCC3OC(=O)C

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)C2CCC3C([N+]2=O)CCC3OC(=O)C

InChI

InChI=1S/C18H22NO4/c1-11-3-5-13(6-4-11)18(21)16-8-7-14-15(19(16)22)9-10-17(14)23-12(2)20/h3-6,14-17H,7-10H2,1-2H3/q+1