ethyl 6-chloranyl-8-methyl-4-[[(2S)-2-oxidanylpropyl]amino]quinolin-1-ium-3-carboxylate

Systemtic Name: ethyl 6-chloranyl-8-methyl-4-[[(2S)-2-oxidanylpropyl]amino]quinolin-1-ium-3-carboxylate Openeye Name: ethyl 6-chloro-4-[[(2S)-2-hydroxypropyl]amino]-8-methyl-quinolin-1-ium-3-carboxylate CAS Name: 6-chloro-4-[[(2S)-2-hydroxypropyl]amino]-8-methyl-3-quinolin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 6-chloro-4-[[(2S)-2-hydroxypropyl]amino]-8-methylquinolin-1-ium-3-carboxylate Traditional Name: 6-chloro-4-[[(2S)-2-hydroxypropyl]amino]-8-methyl-quinolin-1-ium-3-carboxylic acid ethyl ester Formula: C16H20ClN2O3+ MolecularWeight: 323.7946

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=CC(=CC(=C2[NH+]=C1)C)Cl)NCC(C)O

Isomeric SMILES

CCOC(=O)C1=C(C2=CC(=CC(=C2[NH+]=C1)C)Cl)NC[C@H](C)O

InChI

InChI=1S/C16H19ClN2O3/c1-4-22-16(21)13-8-19-14-9(2)5-11(17)6-12(14)15(13)18-7-10(3)20/h5-6,8,10,20H,4,7H2,1-3H3,(H,18,19)/p+1/t10-/m0/s1