3-[(4-ethoxycarbonyl-4-phenyl-piperidin-1-ium-1-yl)methyl]benzoate

Systemtic Name: 3-[(4-ethoxycarbonyl-4-phenyl-piperidin-1-ium-1-yl)methyl]benzoate Openeye Name: 3-[(4-ethoxycarbonyl-4-phenyl-piperidin-1-ium-1-yl)methyl]benzoate CAS Name: 3-[(4-ethoxycarbonyl-4-phenyl-1-piperidin-1-iumyl)methyl]benzoate IUPAC Name: 3-[(4-ethoxycarbonyl-4-phenylpiperidin-1-ium-1-yl)methyl]benzoate Traditional Name: 3-[(4-carbethoxy-4-phenyl-piperidin-1-ium-1-yl)methyl]benzoate Formula: C22H25NO4 MolecularWeight: 367.4382

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CC[NH+](CC1)CC2=CC=CC(=C2)C(=O)[O-])C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1(CC[NH+](CC1)CC2=CC=CC(=C2)C(=O)[O-])C3=CC=CC=C3

InChI

InChI=1S/C22H25NO4/c1-2-27-21(26)22(19-9-4-3-5-10-19)11-13-23(14-12-22)16-17-7-6-8-18(15-17)20(24)25/h3-10,15H,2,11-14,16H2,1H3,(H,24,25)