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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C2C(=O)CC(C=C2N1)(C)C)C3=CC=CC=[NH+]3)C(=O)OC(C)C

Isomeric SMILES

CC1=C(C(C2C(=O)CC(C=C2N1)(C)C)C3=CC=CC=[NH+]3)C(=O)OC(C)C

InChI

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