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

Systemtic Name: phenethyl 7,7-dimethyl-2-methylidene-5-oxidanylidene-4-pyridin-1-ium-2-yl-3,4,6,8-tetrahydro-1H-quinoline-3-carboxylate Openeye Name: phenethyl 7,7-dimethyl-2-methylene-5-oxo-4-pyridin-1-ium-2-yl-3,4,6,8-tetrahydro-1H-quinoline-3-carboxylate CAS Name: 7,7-dimethyl-2-methylene-5-oxo-4-(2-pyridin-1-iumyl)-3,4,6,8-tetrahydro-1H-quinoline-3-carboxylic acid phenethyl ester IUPAC Name: phenethyl 7,7-dimethyl-2-methylidene-5-oxo-4-pyridin-1-ium-2-yl-3,4,6,8-tetrahydro-1H-quinoline-3-carboxylate Traditional Name: 5-keto-7,7-dimethyl-2-methylene-4-pyridin-1-ium-2-yl-3,4,6,8-tetrahydro-1H-quinoline-3-carboxylic acid phenethyl ester Formula: C26H29N2O3+ MolecularWeight: 417.52006

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=C(C(C(C(=C)N2)C(=O)OCCC3=CC=CC=C3)C4=CC=CC=[NH+]4)C(=O)C1)C

Isomeric SMILES

CC1(CC2=C(C(C(C(=C)N2)C(=O)OCCC3=CC=CC=C3)C4=CC=CC=[NH+]4)C(=O)C1)C

InChI

InChI=1S/C26H28N2O3/c1-17-22(25(30)31-14-12-18-9-5-4-6-10-18)24(19-11-7-8-13-27-19)23-20(28-17)15-26(2,3)16-21(23)29/h4-11,13,22,24,28H,1,12,14-16H2,2-3H3/p+1