ethyl 4-[[(2S)-2-oxidanylpropyl]amino]-6-phenoxy-quinolin-1-ium-3-carboxylate

Systemtic Name: ethyl 4-[[(2S)-2-oxidanylpropyl]amino]-6-phenoxy-quinolin-1-ium-3-carboxylate Openeye Name: ethyl 4-[[(2S)-2-hydroxypropyl]amino]-6-phenoxy-quinolin-1-ium-3-carboxylate CAS Name: 4-[[(2S)-2-hydroxypropyl]amino]-6-phenoxy-3-quinolin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 4-[[(2S)-2-hydroxypropyl]amino]-6-phenoxyquinolin-1-ium-3-carboxylate Traditional Name: 4-[[(2S)-2-hydroxypropyl]amino]-6-phenoxy-quinolin-1-ium-3-carboxylic acid ethyl ester Formula: C21H23N2O4+ MolecularWeight: 367.41832

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C[NH+]=C2C=CC(=CC2=C1NCC(C)O)OC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=C[NH+]=C2C=CC(=CC2=C1NC[C@H](C)O)OC3=CC=CC=C3

InChI

InChI=1S/C21H22N2O4/c1-3-26-21(25)18-13-22-19-10-9-16(27-15-7-5-4-6-8-15)11-17(19)20(18)23-12-14(2)24/h4-11,13-14,24H,3,12H2,1-2H3,(H,22,23)/p+1/t14-/m0/s1