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

Systemtic Name: ethyl 7-chloranyl-8-methyl-4-[[(2S)-2-oxidanylpropyl]amino]quinolin-1-ium-3-carboxylate Openeye Name: ethyl 7-chloro-4-[[(2S)-2-hydroxypropyl]amino]-8-methyl-quinolin-1-ium-3-carboxylate CAS Name: 7-chloro-4-[[(2S)-2-hydroxypropyl]amino]-8-methyl-3-quinolin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 7-chloro-4-[[(2S)-2-hydroxypropyl]amino]-8-methylquinolin-1-ium-3-carboxylate Traditional Name: 7-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[NH+]=C2C(=C(C=CC2=C1NCC(C)O)Cl)C

Isomeric SMILES

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

InChI

InChI=1S/C16H19ClN2O3/c1-4-22-16(21)12-8-19-14-10(3)13(17)6-5-11(14)15(12)18-7-9(2)20/h5-6,8-9,20H,4,7H2,1-3H3,(H,18,19)/p+1/t9-/m0/s1