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

Systemtic Name: ethyl 6-methoxy-4-[[(2S)-2-oxidanylpropyl]amino]quinolin-1-ium-3-carboxylate Openeye Name: ethyl 4-[[(2S)-2-hydroxypropyl]amino]-6-methoxy-quinolin-1-ium-3-carboxylate CAS Name: 4-[[(2S)-2-hydroxypropyl]amino]-6-methoxy-3-quinolin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 4-[[(2S)-2-hydroxypropyl]amino]-6-methoxyquinolin-1-ium-3-carboxylate Traditional Name: 4-[[(2S)-2-hydroxypropyl]amino]-6-methoxy-quinolin-1-ium-3-carboxylic acid ethyl ester Formula: C16H21N2O4+ MolecularWeight: 305.34894

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H20N2O4/c1-4-22-16(20)13-9-17-14-6-5-11(21-3)7-12(14)15(13)18-8-10(2)19/h5-7,9-10,19H,4,8H2,1-3H3,(H,17,18)/p+1/t10-/m0/s1