1-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxidanylidene-ethyl]piperidin-1-ium-4-carboxylate

Systemtic Name: 1-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxidanylidene-ethyl]piperidin-1-ium-4-carboxylate Openeye Name: 1-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxo-ethyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-4-piperidin-1-iumcarboxylate IUPAC Name: 1-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]piperidin-1-ium-4-carboxylate Traditional Name: 1-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-keto-ethyl]piperidin-1-ium-4-carboxylate Formula: C17H22N2O3 MolecularWeight: 302.36818

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=CC=CC=C2N(C1)C(=O)C[NH+]3CCC(CC3)C(=O)[O-]

Isomeric SMILES

C1CC2=CC=CC=C2N(C1)C(=O)C[NH+]3CCC(CC3)C(=O)[O-]

InChI

InChI=1S/C17H22N2O3/c20-16(12-18-10-7-14(8-11-18)17(21)22)19-9-3-5-13-4-1-2-6-15(13)19/h1-2,4,6,14H,3,5,7-12H2,(H,21,22)