ethyl 4-(3-phenylpropyl)-1-(pyridin-4-ylmethyl)piperidin-1-ium-4-carboxylate

Systemtic Name: ethyl 4-(3-phenylpropyl)-1-(pyridin-4-ylmethyl)piperidin-1-ium-4-carboxylate Openeye Name: ethyl 4-(3-phenylpropyl)-1-(4-pyridylmethyl)piperidin-1-ium-4-carboxylate CAS Name: 4-(3-phenylpropyl)-1-(pyridin-4-ylmethyl)-4-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 4-(3-phenylpropyl)-1-(pyridin-4-ylmethyl)piperidin-1-ium-4-carboxylate Traditional Name: 4-(3-phenylpropyl)-1-(4-pyridylmethyl)piperidin-1-ium-4-carboxylic acid ethyl ester Formula: C23H31N2O2+ MolecularWeight: 367.50444

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CC[NH+](CC1)CC2=CC=NC=C2)CCCC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1(CC[NH+](CC1)CC2=CC=NC=C2)CCCC3=CC=CC=C3

InChI

InChI=1S/C23H30N2O2/c1-2-27-22(26)23(12-6-9-20-7-4-3-5-8-20)13-17-25(18-14-23)19-21-10-15-24-16-11-21/h3-5,7-8,10-11,15-16H,2,6,9,12-14,17-19H2,1H3/p+1