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

Systemtic Name: ethyl 6-ethoxy-4-[[(2S)-2-oxidanylpropyl]amino]quinolin-1-ium-3-carboxylate Openeye Name: ethyl 6-ethoxy-4-[[(2S)-2-hydroxypropyl]amino]quinolin-1-ium-3-carboxylate CAS Name: 6-ethoxy-4-[[(2S)-2-hydroxypropyl]amino]-3-quinolin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 6-ethoxy-4-[[(2S)-2-hydroxypropyl]amino]quinolin-1-ium-3-carboxylate Traditional Name: 6-ethoxy-4-[[(2S)-2-hydroxypropyl]amino]quinolin-1-ium-3-carboxylic acid ethyl ester Formula: C17H23N2O4+ MolecularWeight: 319.37552

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C(=C[NH+]=C2C=C1)C(=O)OCC)NCC(C)O

Isomeric SMILES

CCOC1=CC2=C(C(=C[NH+]=C2C=C1)C(=O)OCC)NC[C@H](C)O

InChI

InChI=1S/C17H22N2O4/c1-4-22-12-6-7-15-13(8-12)16(19-9-11(3)20)14(10-18-15)17(21)23-5-2/h6-8,10-11,20H,4-5,9H2,1-3H3,(H,18,19)/p+1/t11-/m0/s1