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

Systemtic Name: propan-2-yl 2,7,7-trimethyl-5-oxidanylidene-4-pyridin-1-ium-3-yl-1,4,6,8-tetrahydroquinoline-3-carboxylate Openeye Name: isopropyl 2,7,7-trimethyl-5-oxo-4-pyridin-1-ium-3-yl-1,4,6,8-tetrahydroquinoline-3-carboxylate CAS Name: 2,7,7-trimethyl-5-oxo-4-(3-pyridin-1-iumyl)-1,4,6,8-tetrahydroquinoline-3-carboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 2,7,7-trimethyl-5-oxo-4-pyridin-1-ium-3-yl-1,4,6,8-tetrahydroquinoline-3-carboxylate Traditional Name: 5-keto-2,7,7-trimethyl-4-pyridin-1-ium-3-yl-1,4,6,8-tetrahydroquinoline-3-carboxylic acid isopropyl ester Formula: C21H27N2O3+ MolecularWeight: 355.45068

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26N2O3/c1-12(2)26-20(25)17-13(3)23-15-9-21(4,5)10-16(24)19(15)18(17)14-7-6-8-22-11-14/h6-8,11-12,18,23H,9-10H2,1-5H3/p+1