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

Systemtic Name: ethyl 4-phenethyl-1-(pyridin-4-ylmethyl)piperidin-1-ium-4-carboxylate Openeye Name: ethyl 4-phenethyl-1-(4-pyridylmethyl)piperidin-1-ium-4-carboxylate CAS Name: 4-phenethyl-1-(pyridin-4-ylmethyl)-4-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 4-phenethyl-1-(pyridin-4-ylmethyl)piperidin-1-ium-4-carboxylate Traditional Name: 4-phenethyl-1-(4-pyridylmethyl)piperidin-1-ium-4-carboxylic acid ethyl ester Formula: C22H29N2O2+ MolecularWeight: 353.47786

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CC[NH+](CC1)CC2=CC=NC=C2)CCC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1(CC[NH+](CC1)CC2=CC=NC=C2)CCC3=CC=CC=C3

InChI

InChI=1S/C22H28N2O2/c1-2-26-21(25)22(11-8-19-6-4-3-5-7-19)12-16-24(17-13-22)18-20-9-14-23-15-10-20/h3-7,9-10,14-15H,2,8,11-13,16-18H2,1H3/p+1