phenethyl 2-methylidene-5-oxidanylidene-4-pyridin-1-ium-4-yl-1,3,4,6,7,8-hexahydroquinoline-3-carboxylate

Systemtic Name: phenethyl 2-methylidene-5-oxidanylidene-4-pyridin-1-ium-4-yl-1,3,4,6,7,8-hexahydroquinoline-3-carboxylate Openeye Name: phenethyl 2-methylene-5-oxo-4-pyridin-1-ium-4-yl-1,3,4,6,7,8-hexahydroquinoline-3-carboxylate CAS Name: 2-methylene-5-oxo-4-(4-pyridin-1-iumyl)-1,3,4,6,7,8-hexahydroquinoline-3-carboxylic acid phenethyl ester IUPAC Name: phenethyl 2-methylidene-5-oxo-4-pyridin-1-ium-4-yl-1,3,4,6,7,8-hexahydroquinoline-3-carboxylate Traditional Name: 5-keto-2-methylene-4-pyridin-1-ium-4-yl-1,3,4,6,7,8-hexahydroquinoline-3-carboxylic acid phenethyl ester Formula: C24H25N2O3+ MolecularWeight: 389.4669

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C=C1C(C(C2=C(N1)CCCC2=O)C3=CC=[NH+]C=C3)C(=O)OCCC4=CC=CC=C4

Isomeric SMILES

C=C1C(C(C2=C(N1)CCCC2=O)C3=CC=[NH+]C=C3)C(=O)OCCC4=CC=CC=C4

InChI

InChI=1S/C24H24N2O3/c1-16-21(24(28)29-15-12-17-6-3-2-4-7-17)22(18-10-13-25-14-11-18)23-19(26-16)8-5-9-20(23)27/h2-4,6-7,10-11,13-14,21-22,26H,1,5,8-9,12,15H2/p+1