ethyl (3R)-1-(1-ethanoylpiperidin-4-yl)-3-phenethyl-piperidin-1-ium-3-carboxylate

Systemtic Name: ethyl (3R)-1-(1-ethanoylpiperidin-4-yl)-3-phenethyl-piperidin-1-ium-3-carboxylate Openeye Name: ethyl (3R)-1-(1-acetyl-4-piperidyl)-3-phenethyl-piperidin-1-ium-3-carboxylate CAS Name: (3R)-1-(1-acetyl-4-piperidinyl)-3-phenethyl-3-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl (3R)-1-(1-acetylpiperidin-4-yl)-3-phenethylpiperidin-1-ium-3-carboxylate Traditional Name: (3R)-1-(1-acetyl-4-piperidyl)-3-phenethyl-piperidin-1-ium-3-carboxylic acid ethyl ester Formula: C23H35N2O3+ MolecularWeight: 387.5356

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCC[NH+](C1)C2CCN(CC2)C(=O)C)CCC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)[C@@]1(CCC[NH+](C1)C2CCN(CC2)C(=O)C)CCC3=CC=CC=C3

InChI

InChI=1S/C23H34N2O3/c1-3-28-22(27)23(14-10-20-8-5-4-6-9-20)13-7-15-25(18-23)21-11-16-24(17-12-21)19(2)26/h4-6,8-9,21H,3,7,10-18H2,1-2H3/p+1/t23-/m0/s1