ethyl 4-[(3-methoxyphenyl)methyl]-1-(quinolin-6-ylmethyl)piperidin-1-ium-4-carboxylate

Systemtic Name: ethyl 4-[(3-methoxyphenyl)methyl]-1-(quinolin-6-ylmethyl)piperidin-1-ium-4-carboxylate Openeye Name: ethyl 4-[(3-methoxyphenyl)methyl]-1-(6-quinolylmethyl)piperidin-1-ium-4-carboxylate CAS Name: 4-[(3-methoxyphenyl)methyl]-1-(6-quinolinylmethyl)-4-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(3-methoxyphenyl)methyl]-1-(quinolin-6-ylmethyl)piperidin-1-ium-4-carboxylate Traditional Name: 4-m-anisyl-1-(6-quinolylmethyl)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=CC3=C(C=C2)N=CC=C3)CC4=CC(=CC=C4)OC

Isomeric SMILES

CCOC(=O)C1(CC[NH+](CC1)CC2=CC3=C(C=C2)N=CC=C3)CC4=CC(=CC=C4)OC

InChI

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