ethyl 7,8-dimethyl-4-[[(2S)-2-oxidanylpropyl]amino]quinolin-1-ium-3-carboxylate

Systemtic Name: ethyl 7,8-dimethyl-4-[[(2S)-2-oxidanylpropyl]amino]quinolin-1-ium-3-carboxylate Openeye Name: ethyl 4-[[(2S)-2-hydroxypropyl]amino]-7,8-dimethyl-quinolin-1-ium-3-carboxylate CAS Name: 4-[[(2S)-2-hydroxypropyl]amino]-7,8-dimethyl-3-quinolin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 4-[[(2S)-2-hydroxypropyl]amino]-7,8-dimethylquinolin-1-ium-3-carboxylate Traditional Name: 4-[[(2S)-2-hydroxypropyl]amino]-7,8-dimethyl-quinolin-1-ium-3-carboxylic acid ethyl ester Formula: C17H23N2O3+ MolecularWeight: 303.37612

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H22N2O3/c1-5-22-17(21)14-9-19-15-12(4)10(2)6-7-13(15)16(14)18-8-11(3)20/h6-7,9,11,20H,5,8H2,1-4H3,(H,18,19)/p+1/t11-/m0/s1