ethyl 1-(isoquinolin-5-ylmethyl)-4-[(3-methoxyphenyl)methyl]piperidin-1-ium-4-carboxylate

Systemtic Name: ethyl 1-(isoquinolin-5-ylmethyl)-4-[(3-methoxyphenyl)methyl]piperidin-1-ium-4-carboxylate Openeye Name: ethyl 1-(5-isoquinolylmethyl)-4-[(3-methoxyphenyl)methyl]piperidin-1-ium-4-carboxylate CAS Name: 1-(5-isoquinolinylmethyl)-4-[(3-methoxyphenyl)methyl]-4-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 1-(isoquinolin-5-ylmethyl)-4-[(3-methoxyphenyl)methyl]piperidin-1-ium-4-carboxylate Traditional Name: 1-(5-isoquinolylmethyl)-4-m-anisyl-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=CC=CC3=C2C=CN=C3)CC4=CC(=CC=C4)OC

Isomeric SMILES

CCOC(=O)C1(CC[NH+](CC1)CC2=CC=CC3=C2C=CN=C3)CC4=CC(=CC=C4)OC

InChI

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