ethyl 4-(2-phenoxyethyl)-1-(1-phenylpiperidin-4-yl)piperidin-1-ium-4-carboxylate

Systemtic Name: ethyl 4-(2-phenoxyethyl)-1-(1-phenylpiperidin-4-yl)piperidin-1-ium-4-carboxylate Openeye Name: ethyl 4-(2-phenoxyethyl)-1-(1-phenyl-4-piperidyl)piperidin-1-ium-4-carboxylate CAS Name: 4-(2-phenoxyethyl)-1-(1-phenyl-4-piperidinyl)-4-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 4-(2-phenoxyethyl)-1-(1-phenylpiperidin-4-yl)piperidin-1-ium-4-carboxylate Traditional Name: 4-(2-phenoxyethyl)-1-(1-phenyl-4-piperidyl)piperidin-1-ium-4-carboxylic acid ethyl ester Formula: C27H37N2O3+ MolecularWeight: 437.59428

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CC[NH+](CC1)C2CCN(CC2)C3=CC=CC=C3)CCOC4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1(CC[NH+](CC1)C2CCN(CC2)C3=CC=CC=C3)CCOC4=CC=CC=C4

InChI

InChI=1S/C27H36N2O3/c1-2-31-26(30)27(17-22-32-25-11-7-4-8-12-25)15-20-29(21-16-27)24-13-18-28(19-14-24)23-9-5-3-6-10-23/h3-12,24H,2,13-22H2,1H3/p+1