ethyl (3R)-1-(1-ethoxycarbonylpiperidin-4-yl)-3-(2-phenoxyethyl)piperidin-1-ium-3-carboxylate

Systemtic Name: ethyl (3R)-1-(1-ethoxycarbonylpiperidin-4-yl)-3-(2-phenoxyethyl)piperidin-1-ium-3-carboxylate Openeye Name: ethyl (3R)-1-(1-ethoxycarbonyl-4-piperidyl)-3-(2-phenoxyethyl)piperidin-1-ium-3-carboxylate CAS Name: (3R)-1-(1-ethoxycarbonyl-4-piperidinyl)-3-(2-phenoxyethyl)-3-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl (3R)-1-(1-ethoxycarbonylpiperidin-4-yl)-3-(2-phenoxyethyl)piperidin-1-ium-3-carboxylate Traditional Name: (3R)-1-(1-carbethoxy-4-piperidyl)-3-(2-phenoxyethyl)piperidin-1-ium-3-carboxylic acid ethyl ester Formula: C24H37N2O5+ MolecularWeight: 433.56098

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCC[NH+](C1)C2CCN(CC2)C(=O)OCC)CCOC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)[C@]1(CCC[NH+](C1)C2CCN(CC2)C(=O)OCC)CCOC3=CC=CC=C3

InChI

InChI=1S/C24H36N2O5/c1-3-29-22(27)24(14-18-31-21-9-6-5-7-10-21)13-8-15-26(19-24)20-11-16-25(17-12-20)23(28)30-4-2/h5-7,9-10,20H,3-4,8,11-19H2,1-2H3/p+1/t24-/m1/s1