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

Systemtic Name: ethyl 6-methyl-4-[[(2S)-2-oxidanylpropyl]amino]quinolin-1-ium-3-carboxylate Openeye Name: ethyl 4-[[(2S)-2-hydroxypropyl]amino]-6-methyl-quinolin-1-ium-3-carboxylate CAS Name: 4-[[(2S)-2-hydroxypropyl]amino]-6-methyl-3-quinolin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 4-[[(2S)-2-hydroxypropyl]amino]-6-methylquinolin-1-ium-3-carboxylate Traditional Name: 4-[[(2S)-2-hydroxypropyl]amino]-6-methyl-quinolin-1-ium-3-carboxylic acid ethyl ester Formula: C16H21N2O3+ MolecularWeight: 289.34954

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H20N2O3/c1-4-21-16(20)13-9-17-14-6-5-10(2)7-12(14)15(13)18-8-11(3)19/h5-7,9,11,19H,4,8H2,1-3H3,(H,17,18)/p+1/t11-/m0/s1