(phenylmethyl) 7,7-dimethyl-2-methylidene-5-oxidanylidene-4-pyridin-1-ium-3-yl-3,4,6,8-tetrahydro-1H-quinoline-3-carboxylate

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=C(C(C(C(=C)N2)C(=O)OCC3=CC=CC=C3)C4=C[NH+]=CC=C4)C(=O)C1)C

Isomeric SMILES

CC1(CC2=C(C(C(C(=C)N2)C(=O)OCC3=CC=CC=C3)C4=C[NH+]=CC=C4)C(=O)C1)C

InChI

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