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

Systemtic Name: ethyl 6-bromanyl-4-[[(2S)-2-oxidanylpropyl]amino]quinolin-1-ium-3-carboxylate Openeye Name: ethyl 6-bromo-4-[[(2S)-2-hydroxypropyl]amino]quinolin-1-ium-3-carboxylate CAS Name: 6-bromo-4-[[(2S)-2-hydroxypropyl]amino]-3-quinolin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 6-bromo-4-[[(2S)-2-hydroxypropyl]amino]quinolin-1-ium-3-carboxylate Traditional Name: 6-bromo-4-[[(2S)-2-hydroxypropyl]amino]quinolin-1-ium-3-carboxylic acid ethyl ester Formula: C15H18BrN2O3+ MolecularWeight: 354.21902

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H17BrN2O3/c1-3-21-15(20)12-8-17-13-5-4-10(16)6-11(13)14(12)18-7-9(2)19/h4-6,8-9,19H,3,7H2,1-2H3,(H,17,18)/p+1/t9-/m0/s1