[2-[[4-(morpholin-4-ium-4-ylmethyl)phenyl]amino]-2-oxidanylidene-ethyl] 3-methyl-2-phenyl-quinoline-4-carboxylate

Systemtic Name: [2-[[4-(morpholin-4-ium-4-ylmethyl)phenyl]amino]-2-oxidanylidene-ethyl] 3-methyl-2-phenyl-quinoline-4-carboxylate Openeye Name: [2-[4-(morpholin-4-ium-4-ylmethyl)anilino]-2-oxo-ethyl] 3-methyl-2-phenyl-quinoline-4-carboxylate CAS Name: 3-methyl-2-phenyl-4-quinolinecarboxylic acid [2-[4-(4-morpholin-4-iumylmethyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-[4-(morpholin-4-ium-4-ylmethyl)anilino]-2-oxoethyl] 3-methyl-2-phenylquinoline-4-carboxylate Traditional Name: 3-methyl-2-phenyl-cinchoninic acid [2-keto-2-[4-(morpholin-4-ium-4-ylmethyl)anilino]ethyl] ester Formula: C30H30N3O4+ MolecularWeight: 496.5769

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=CC=CC=C2N=C1C3=CC=CC=C3)C(=O)OCC(=O)NC4=CC=C(C=C4)C[NH+]5CCOCC5

Isomeric SMILES

CC1=C(C2=CC=CC=C2N=C1C3=CC=CC=C3)C(=O)OCC(=O)NC4=CC=C(C=C4)C[NH+]5CCOCC5

InChI

InChI=1S/C30H29N3O4/c1-21-28(25-9-5-6-10-26(25)32-29(21)23-7-3-2-4-8-23)30(35)37-20-27(34)31-24-13-11-22(12-14-24)19-33-15-17-36-18-16-33/h2-14H,15-20H2,1H3,(H,31,34)/p+1