ethyl 1-(isoquinolin-5-ylmethyl)-4-(2-phenoxyethyl)piperidin-1-ium-4-carboxylate

Systemtic Name: ethyl 1-(isoquinolin-5-ylmethyl)-4-(2-phenoxyethyl)piperidin-1-ium-4-carboxylate Openeye Name: ethyl 1-(5-isoquinolylmethyl)-4-(2-phenoxyethyl)piperidin-1-ium-4-carboxylate CAS Name: 1-(5-isoquinolinylmethyl)-4-(2-phenoxyethyl)-4-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 1-(isoquinolin-5-ylmethyl)-4-(2-phenoxyethyl)piperidin-1-ium-4-carboxylate Traditional Name: 1-(5-isoquinolylmethyl)-4-(2-phenoxyethyl)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)CCOC4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1(CC[NH+](CC1)CC2=CC=CC3=C2C=CN=C3)CCOC4=CC=CC=C4

InChI

InChI=1S/C26H30N2O3/c1-2-30-25(29)26(14-18-31-23-9-4-3-5-10-23)12-16-28(17-13-26)20-22-8-6-7-21-19-27-15-11-24(21)22/h3-11,15,19H,2,12-14,16-18,20H2,1H3/p+1