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

Systemtic Name: ethyl 6,8-dimethyl-4-[[(2S)-2-oxidanylpropyl]amino]quinolin-1-ium-3-carboxylate Openeye Name: ethyl 4-[[(2S)-2-hydroxypropyl]amino]-6,8-dimethyl-quinolin-1-ium-3-carboxylate CAS Name: 4-[[(2S)-2-hydroxypropyl]amino]-6,8-dimethyl-3-quinolin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 4-[[(2S)-2-hydroxypropyl]amino]-6,8-dimethylquinolin-1-ium-3-carboxylate Traditional Name: 4-[[(2S)-2-hydroxypropyl]amino]-6,8-dimethyl-quinolin-1-ium-3-carboxylic acid ethyl ester Formula: C17H23N2O3+ MolecularWeight: 303.37612

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H22N2O3/c1-5-22-17(21)14-9-19-15-11(3)6-10(2)7-13(15)16(14)18-8-12(4)20/h6-7,9,12,20H,5,8H2,1-4H3,(H,18,19)/p+1/t12-/m0/s1