ethyl 1-[(8-methoxyquinolin-2-yl)methyl]-4-(phenylmethyl)piperidin-1-ium-4-carboxylate

Systemtic Name: ethyl 1-[(8-methoxyquinolin-2-yl)methyl]-4-(phenylmethyl)piperidin-1-ium-4-carboxylate Openeye Name: ethyl 4-benzyl-1-[(8-methoxy-2-quinolyl)methyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[(8-methoxy-2-quinolinyl)methyl]-4-(phenylmethyl)-4-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 4-benzyl-1-[(8-methoxyquinolin-2-yl)methyl]piperidin-1-ium-4-carboxylate Traditional Name: 4-benzyl-1-[(8-methoxy-2-quinolyl)methyl]piperidin-1-ium-4-carboxylic acid ethyl ester Formula: C26H31N2O3+ MolecularWeight: 419.53594

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CC[NH+](CC1)CC2=NC3=C(C=CC=C3OC)C=C2)CC4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1(CC[NH+](CC1)CC2=NC3=C(C=CC=C3OC)C=C2)CC4=CC=CC=C4

InChI

InChI=1S/C26H30N2O3/c1-3-31-25(29)26(18-20-8-5-4-6-9-20)14-16-28(17-15-26)19-22-13-12-21-10-7-11-23(30-2)24(21)27-22/h4-13H,3,14-19H2,1-2H3/p+1