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

Systemtic Name: ethyl 4-[[(2S)-2-oxidanylpropyl]amino]benzo[h]quinolin-1-ium-3-carboxylate Openeye Name: ethyl 4-[[(2S)-2-hydroxypropyl]amino]benzo[h]quinolin-1-ium-3-carboxylate CAS Name: 4-[[(2S)-2-hydroxypropyl]amino]-3-benzo[h]quinolin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 4-[[(2S)-2-hydroxypropyl]amino]benzo[h]quinolin-1-ium-3-carboxylate Traditional Name: 4-[[(2S)-2-hydroxypropyl]amino]benzo[h]quinolin-1-ium-3-carboxylic acid ethyl ester Formula: C19H21N2O3+ MolecularWeight: 325.38164

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C[NH+]=C2C(=C1NCC(C)O)C=CC3=CC=CC=C32

Isomeric SMILES

CCOC(=O)C1=C[NH+]=C2C(=C1NC[C@H](C)O)C=CC3=CC=CC=C32

InChI

InChI=1S/C19H20N2O3/c1-3-24-19(23)16-11-21-17-14-7-5-4-6-13(14)8-9-15(17)18(16)20-10-12(2)22/h4-9,11-12,22H,3,10H2,1-2H3,(H,20,21)/p+1/t12-/m0/s1