3-[3-[(diethylazaniumyl)methyl]-2-oxidanylidene-1H-quinolin-6-yl]propanoate

Systemtic Name: 3-[3-[(diethylazaniumyl)methyl]-2-oxidanylidene-1H-quinolin-6-yl]propanoate Openeye Name: 3-[3-[(diethylammonio)methyl]-2-oxo-1H-quinolin-6-yl]propanoate CAS Name: 3-[3-[(diethylammonio)methyl]-2-oxo-1H-quinolin-6-yl]propanoate IUPAC Name: 3-[3-[(diethylazaniumyl)methyl]-2-oxo-1H-quinolin-6-yl]propanoate Traditional Name: 3-[3-[(diethylammonio)methyl]-2-keto-1H-quinolin-6-yl]propionate Formula: C17H22N2O3 MolecularWeight: 302.36818

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CC1=CC2=C(C=CC(=C2)CCC(=O)[O-])NC1=O

Isomeric SMILES

CC[NH+](CC)CC1=CC2=C(C=CC(=C2)CCC(=O)[O-])NC1=O

InChI

InChI=1S/C17H22N2O3/c1-3-19(4-2)11-14-10-13-9-12(6-8-16(20)21)5-7-15(13)18-17(14)22/h5,7,9-10H,3-4,6,8,11H2,1-2H3,(H,18,22)(H,20,21)