ethyl 4-phenethyl-1-[(2R)-1-pyridin-3-ylpropan-2-yl]piperidin-1-ium-4-carboxylate

Systemtic Name: ethyl 4-phenethyl-1-[(2R)-1-pyridin-3-ylpropan-2-yl]piperidin-1-ium-4-carboxylate Openeye Name: ethyl 1-[(1R)-1-methyl-2-(3-pyridyl)ethyl]-4-phenethyl-piperidin-1-ium-4-carboxylate CAS Name: 4-phenethyl-1-[(2R)-1-(3-pyridinyl)propan-2-yl]-4-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 4-phenethyl-1-[(2R)-1-pyridin-3-ylpropan-2-yl]piperidin-1-ium-4-carboxylate Traditional Name: 1-[(1R)-1-methyl-2-(3-pyridyl)ethyl]-4-phenethyl-piperidin-1-ium-4-carboxylic acid ethyl ester Formula: C24H33N2O2+ MolecularWeight: 381.53102

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCOC(=O)C1(CC[NH+](CC1)[C@H](C)CC2=CN=CC=C2)CCC3=CC=CC=C3

InChI

InChI=1S/C24H32N2O2/c1-3-28-23(27)24(12-11-21-8-5-4-6-9-21)13-16-26(17-14-24)20(2)18-22-10-7-15-25-19-22/h4-10,15,19-20H,3,11-14,16-18H2,1-2H3/p+1/t20-/m1/s1