(phenylmethyl) 2,7,7-trimethyl-5-oxidanylidene-4-pyridin-1-ium-4-yl-1,4,6,8-tetrahydroquinoline-3-carboxylate

Systemtic Name: (phenylmethyl) 2,7,7-trimethyl-5-oxidanylidene-4-pyridin-1-ium-4-yl-1,4,6,8-tetrahydroquinoline-3-carboxylate Openeye Name: benzyl 2,7,7-trimethyl-5-oxo-4-pyridin-1-ium-4-yl-1,4,6,8-tetrahydroquinoline-3-carboxylate CAS Name: 2,7,7-trimethyl-5-oxo-4-(4-pyridin-1-iumyl)-1,4,6,8-tetrahydroquinoline-3-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 2,7,7-trimethyl-5-oxo-4-pyridin-1-ium-4-yl-1,4,6,8-tetrahydroquinoline-3-carboxylate Traditional Name: 5-keto-2,7,7-trimethyl-4-pyridin-1-ium-4-yl-1,4,6,8-tetrahydroquinoline-3-carboxylic acid benzyl ester Formula: C25H27N2O3+ MolecularWeight: 403.49348

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C2=C(N1)CC(CC2=O)(C)C)C3=CC=[NH+]C=C3)C(=O)OCC4=CC=CC=C4

Isomeric SMILES

CC1=C(C(C2=C(N1)CC(CC2=O)(C)C)C3=CC=[NH+]C=C3)C(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C25H26N2O3/c1-16-21(24(29)30-15-17-7-5-4-6-8-17)22(18-9-11-26-12-10-18)23-19(27-16)13-25(2,3)14-20(23)28/h4-12,22,27H,13-15H2,1-3H3/p+1