ethyl 4-(phenylmethyl)-1-(pyridin-4-ylmethyl)piperidin-1-ium-4-carboxylate

Systemtic Name: ethyl 4-(phenylmethyl)-1-(pyridin-4-ylmethyl)piperidin-1-ium-4-carboxylate Openeye Name: ethyl 4-benzyl-1-(4-pyridylmethyl)piperidin-1-ium-4-carboxylate CAS Name: 4-(phenylmethyl)-1-(pyridin-4-ylmethyl)-4-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 4-benzyl-1-(pyridin-4-ylmethyl)piperidin-1-ium-4-carboxylate Traditional Name: 4-benzyl-1-(4-pyridylmethyl)piperidin-1-ium-4-carboxylic acid ethyl ester Formula: C21H27N2O2+ MolecularWeight: 339.45128

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CC[NH+](CC1)CC2=CC=NC=C2)CC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1(CC[NH+](CC1)CC2=CC=NC=C2)CC3=CC=CC=C3

InChI

InChI=1S/C21H26N2O2/c1-2-25-20(24)21(16-18-6-4-3-5-7-18)10-14-23(15-11-21)17-19-8-12-22-13-9-19/h3-9,12-13H,2,10-11,14-17H2,1H3/p+1