(1-methylpiperidin-1-ium-4-yl) 2-(6-methoxynaphthalen-2-yl)quinoline-4-carboxylate

Systemtic Name: (1-methylpiperidin-1-ium-4-yl) 2-(6-methoxynaphthalen-2-yl)quinoline-4-carboxylate Openeye Name: (1-methylpiperidin-1-ium-4-yl) 2-(6-methoxy-2-naphthyl)quinoline-4-carboxylate CAS Name: 2-(6-methoxy-2-naphthalenyl)-4-quinolinecarboxylic acid (1-methyl-4-piperidin-1-iumyl) ester IUPAC Name: (1-methylpiperidin-1-ium-4-yl) 2-(6-methoxynaphthalen-2-yl)quinoline-4-carboxylate Traditional Name: 2-(6-methoxy-2-naphthyl)cinchoninic acid (1-methylpiperidin-1-ium-4-yl) ester Formula: C27H27N2O3+ MolecularWeight: 427.51488

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCC(CC1)OC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC5=C(C=C4)C=C(C=C5)OC

Isomeric SMILES

C[NH+]1CCC(CC1)OC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC5=C(C=C4)C=C(C=C5)OC

InChI

InChI=1S/C27H26N2O3/c1-29-13-11-21(12-14-29)32-27(30)24-17-26(28-25-6-4-3-5-23(24)25)20-8-7-19-16-22(31-2)10-9-18(19)15-20/h3-10,15-17,21H,11-14H2,1-2H3/p+1