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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CC[NH+](CC1)C2CCN(CC2)C(=O)OCC)CCC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1(CC[NH+](CC1)C2CCN(CC2)C(=O)OCC)CCC3=CC=CC=C3

InChI

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