4-[2-[4-(4-ethoxyphenyl)carbonylpiperidin-1-ium-1-yl]ethanoylamino]benzoate

Systemtic Name: 4-[2-[4-(4-ethoxyphenyl)carbonylpiperidin-1-ium-1-yl]ethanoylamino]benzoate Openeye Name: 4-[[2-[4-(4-ethoxybenzoyl)piperidin-1-ium-1-yl]acetyl]amino]benzoate CAS Name: 4-[[2-[4-[(4-ethoxyphenyl)-oxomethyl]-1-piperidin-1-iumyl]-1-oxoethyl]amino]benzoate IUPAC Name: 4-[[2-[4-(4-ethoxybenzoyl)piperidin-1-ium-1-yl]acetyl]amino]benzoate Traditional Name: 4-[[2-[4-(4-ethoxybenzoyl)piperidin-1-ium-1-yl]acetyl]amino]benzoate Formula: C23H26N2O5 MolecularWeight: 410.46294

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C(=O)C2CC[NH+](CC2)CC(=O)NC3=CC=C(C=C3)C(=O)[O-]

Isomeric SMILES

CCOC1=CC=C(C=C1)C(=O)C2CC[NH+](CC2)CC(=O)NC3=CC=C(C=C3)C(=O)[O-]

InChI

InChI=1S/C23H26N2O5/c1-2-30-20-9-5-16(6-10-20)22(27)17-11-13-25(14-12-17)15-21(26)24-19-7-3-18(4-8-19)23(28)29/h3-10,17H,2,11-15H2,1H3,(H,24,26)(H,28,29)