3-[2-oxidanylidene-3-(piperidin-1-ium-1-ylmethyl)-1H-quinolin-6-yl]propanoate

Systemtic Name: 3-[2-oxidanylidene-3-(piperidin-1-ium-1-ylmethyl)-1H-quinolin-6-yl]propanoate Openeye Name: 3-[2-oxo-3-(piperidin-1-ium-1-ylmethyl)-1H-quinolin-6-yl]propanoate CAS Name: 3-[2-oxo-3-(1-piperidin-1-iumylmethyl)-1H-quinolin-6-yl]propanoate IUPAC Name: 3-[2-oxo-3-(piperidin-1-ium-1-ylmethyl)-1H-quinolin-6-yl]propanoate Traditional Name: 3-[2-keto-3-(piperidin-1-ium-1-ylmethyl)-1H-quinolin-6-yl]propionate Formula: C18H22N2O3 MolecularWeight: 314.37888

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CC2=CC3=C(C=CC(=C3)CCC(=O)[O-])NC2=O

Isomeric SMILES

C1CC[NH+](CC1)CC2=CC3=C(C=CC(=C3)CCC(=O)[O-])NC2=O

InChI

InChI=1S/C18H22N2O3/c21-17(22)7-5-13-4-6-16-14(10-13)11-15(18(23)19-16)12-20-8-2-1-3-9-20/h4,6,10-11H,1-3,5,7-9,12H2,(H,19,23)(H,21,22)