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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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