4-[(4-ethoxycarbonylpiperidin-1-ium-1-yl)methyl]benzoate

Systemtic Name: 4-[(4-ethoxycarbonylpiperidin-1-ium-1-yl)methyl]benzoate Openeye Name: 4-[(4-ethoxycarbonylpiperidin-1-ium-1-yl)methyl]benzoate CAS Name: 4-[(4-ethoxycarbonyl-1-piperidin-1-iumyl)methyl]benzoate IUPAC Name: 4-[(4-ethoxycarbonylpiperidin-1-ium-1-yl)methyl]benzoate Traditional Name: 4-[(4-carbethoxypiperidin-1-ium-1-yl)methyl]benzoate Formula: C16H21NO4 MolecularWeight: 291.34224

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CC[NH+](CC1)CC2=CC=C(C=C2)C(=O)[O-]

Isomeric SMILES

CCOC(=O)C1CC[NH+](CC1)CC2=CC=C(C=C2)C(=O)[O-]

InChI

InChI=1S/C16H21NO4/c1-2-21-16(20)14-7-9-17(10-8-14)11-12-3-5-13(6-4-12)15(18)19/h3-6,14H,2,7-11H2,1H3,(H,18,19)