ethyl (3S)-1-(1-ethoxycarbonylpiperidin-4-yl)-3-phenethyl-piperidin-1-ium-3-carboxylate

Systemtic Name: ethyl (3S)-1-(1-ethoxycarbonylpiperidin-4-yl)-3-phenethyl-piperidin-1-ium-3-carboxylate Openeye Name: ethyl (3S)-1-(1-ethoxycarbonyl-4-piperidyl)-3-phenethyl-piperidin-1-ium-3-carboxylate CAS Name: (3S)-1-(1-ethoxycarbonyl-4-piperidinyl)-3-phenethyl-3-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-1-(1-ethoxycarbonylpiperidin-4-yl)-3-phenethylpiperidin-1-ium-3-carboxylate Traditional Name: (3S)-1-(1-carbethoxy-4-piperidyl)-3-phenethyl-piperidin-1-ium-3-carboxylic acid ethyl ester Formula: C24H37N2O4+ MolecularWeight: 417.56158

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H36N2O4/c1-3-29-22(27)24(15-11-20-9-6-5-7-10-20)14-8-16-26(19-24)21-12-17-25(18-13-21)23(28)30-4-2/h5-7,9-10,21H,3-4,8,11-19H2,1-2H3/p+1/t24-/m1/s1