ethyl 1-ethyl-6,7-dimethoxy-4-phenylazanyl-quinolin-1-ium-3-carboxylate

Systemtic Name: ethyl 1-ethyl-6,7-dimethoxy-4-phenylazanyl-quinolin-1-ium-3-carboxylate Openeye Name: ethyl 4-anilino-1-ethyl-6,7-dimethoxy-quinolin-1-ium-3-carboxylate CAS Name: 4-anilino-1-ethyl-6,7-dimethoxy-3-quinolin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 4-anilino-1-ethyl-6,7-dimethoxyquinolin-1-ium-3-carboxylate Traditional Name: 4-anilino-1-ethyl-6,7-dimethoxy-quinolin-1-ium-3-carboxylic acid ethyl ester Formula: C22H25N2O4+ MolecularWeight: 381.4449

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1=CC(=C(C2=CC(=C(C=C21)OC)OC)NC3=CC=CC=C3)C(=O)OCC

Isomeric SMILES

CC[N+]1=CC(=C(C2=CC(=C(C=C21)OC)OC)NC3=CC=CC=C3)C(=O)OCC

InChI

InChI=1S/C22H24N2O4/c1-5-24-14-17(22(25)28-6-2)21(23-15-10-8-7-9-11-15)16-12-19(26-3)20(27-4)13-18(16)24/h7-14H,5-6H2,1-4H3/p+1