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

Systemtic Name: ethyl 4-[[(2S)-2-oxidanylpropyl]amino]quinolin-1-ium-3-carboxylate Openeye Name: ethyl 4-[[(2S)-2-hydroxypropyl]amino]quinolin-1-ium-3-carboxylate CAS Name: 4-[[(2S)-2-hydroxypropyl]amino]-3-quinolin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 4-[[(2S)-2-hydroxypropyl]amino]quinolin-1-ium-3-carboxylate Traditional Name: 4-[[(2S)-2-hydroxypropyl]amino]quinolin-1-ium-3-carboxylic acid ethyl ester Formula: C15H19N2O3+ MolecularWeight: 275.32296

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H18N2O3/c1-3-20-15(19)12-9-16-13-7-5-4-6-11(13)14(12)17-8-10(2)18/h4-7,9-10,18H,3,8H2,1-2H3,(H,16,17)/p+1/t10-/m0/s1