2-piperidin-1-ium-1-ylethyl 2-pyridin-4-ylquinoline-4-carboxylate

Systemtic Name: 2-piperidin-1-ium-1-ylethyl 2-pyridin-4-ylquinoline-4-carboxylate Openeye Name: 2-piperidin-1-ium-1-ylethyl 2-(4-pyridyl)quinoline-4-carboxylate CAS Name: 2-pyridin-4-yl-4-quinolinecarboxylic acid 2-(1-piperidin-1-iumyl)ethyl ester IUPAC Name: 2-piperidin-1-ium-1-ylethyl 2-pyridin-4-ylquinoline-4-carboxylate Traditional Name: 2-(4-pyridyl)cinchoninic acid 2-piperidin-1-ium-1-ylethyl ester Formula: C22H24N3O2+ MolecularWeight: 362.44486

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CCOC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=NC=C4

Isomeric SMILES

C1CC[NH+](CC1)CCOC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=NC=C4

InChI

InChI=1S/C22H23N3O2/c26-22(27-15-14-25-12-4-1-5-13-25)19-16-21(17-8-10-23-11-9-17)24-20-7-3-2-6-18(19)20/h2-3,6-11,16H,1,4-5,12-15H2/p+1