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

Systemtic Name: phenethyl 2-methylidene-5-oxidanylidene-7-phenyl-4-pyridin-1-ium-3-yl-1,3,4,6,7,8-hexahydroquinoline-3-carboxylate Openeye Name: phenethyl 2-methylene-5-oxo-7-phenyl-4-pyridin-1-ium-3-yl-1,3,4,6,7,8-hexahydroquinoline-3-carboxylate CAS Name: 2-methylene-5-oxo-7-phenyl-4-(3-pyridin-1-iumyl)-1,3,4,6,7,8-hexahydroquinoline-3-carboxylic acid phenethyl ester IUPAC Name: phenethyl 2-methylidene-5-oxo-7-phenyl-4-pyridin-1-ium-3-yl-1,3,4,6,7,8-hexahydroquinoline-3-carboxylate Traditional Name: 5-keto-2-methylene-7-phenyl-4-pyridin-1-ium-3-yl-1,3,4,6,7,8-hexahydroquinoline-3-carboxylic acid phenethyl ester Formula: C30H29N2O3+ MolecularWeight: 465.56286

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Descriptors Computed from Structure

Canonical SMILES:

C=C1C(C(C2=C(N1)CC(CC2=O)C3=CC=CC=C3)C4=C[NH+]=CC=C4)C(=O)OCCC5=CC=CC=C5

Isomeric SMILES

C=C1C(C(C2=C(N1)CC(CC2=O)C3=CC=CC=C3)C4=C[NH+]=CC=C4)C(=O)OCCC5=CC=CC=C5

InChI

InChI=1S/C30H28N2O3/c1-20-27(30(34)35-16-14-21-9-4-2-5-10-21)28(23-13-8-15-31-19-23)29-25(32-20)17-24(18-26(29)33)22-11-6-3-7-12-22/h2-13,15,19,24,27-28,32H,1,14,16-18H2/p+1