ethyl 4-(3-oxidanylpropylamino)quinolin-1-ium-3-carboxylate

Systemtic Name: ethyl 4-(3-oxidanylpropylamino)quinolin-1-ium-3-carboxylate Openeye Name: ethyl 4-(3-hydroxypropylamino)quinolin-1-ium-3-carboxylate CAS Name: 4-(3-hydroxypropylamino)-3-quinolin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 4-(3-hydroxypropylamino)quinolin-1-ium-3-carboxylate Traditional Name: 4-(3-hydroxypropylamino)quinolin-1-ium-3-carboxylic acid ethyl ester Formula: C15H19N2O3+ MolecularWeight: 275.32296

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H18N2O3/c1-2-20-15(19)12-10-17-13-7-4-3-6-11(13)14(12)16-8-5-9-18/h3-4,6-7,10,18H,2,5,8-9H2,1H3,(H,16,17)/p+1