diethyl 4-[[(2S)-2-oxidanylpropyl]amino]quinolin-1-ium-3,6-dicarboxylate

Systemtic Name: diethyl 4-[[(2S)-2-oxidanylpropyl]amino]quinolin-1-ium-3,6-dicarboxylate Openeye Name: diethyl 4-[[(2S)-2-hydroxypropyl]amino]quinolin-1-ium-3,6-dicarboxylate CAS Name: 4-[[(2S)-2-hydroxypropyl]amino]quinolin-1-ium-3,6-dicarboxylic acid diethyl ester IUPAC Name: diethyl 4-[[(2S)-2-hydroxypropyl]amino]quinolin-1-ium-3,6-dicarboxylate Traditional Name: 4-[[(2S)-2-hydroxypropyl]amino]quinolin-1-ium-3,6-dicarboxylic acid diethyl ester Formula: C18H23N2O5+ MolecularWeight: 347.38562

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H22N2O5/c1-4-24-17(22)12-6-7-15-13(8-12)16(20-9-11(3)21)14(10-19-15)18(23)25-5-2/h6-8,10-11,21H,4-5,9H2,1-3H3,(H,19,20)/p+1/t11-/m0/s1