4-[2-[4-(3-chlorophenyl)carbonylpiperidin-1-ium-1-yl]ethanoylamino]benzoate

Systemtic Name: 4-[2-[4-(3-chlorophenyl)carbonylpiperidin-1-ium-1-yl]ethanoylamino]benzoate Openeye Name: 4-[[2-[4-(3-chlorobenzoyl)piperidin-1-ium-1-yl]acetyl]amino]benzoate CAS Name: 4-[[2-[4-[(3-chlorophenyl)-oxomethyl]-1-piperidin-1-iumyl]-1-oxoethyl]amino]benzoate IUPAC Name: 4-[[2-[4-(3-chlorobenzoyl)piperidin-1-ium-1-yl]acetyl]amino]benzoate Traditional Name: 4-[[2-[4-(3-chlorobenzoyl)piperidin-1-ium-1-yl]acetyl]amino]benzoate Formula: C21H21ClN2O4 MolecularWeight: 400.85544

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1C(=O)C2=CC(=CC=C2)Cl)CC(=O)NC3=CC=C(C=C3)C(=O)[O-]

Isomeric SMILES

C1C[NH+](CCC1C(=O)C2=CC(=CC=C2)Cl)CC(=O)NC3=CC=C(C=C3)C(=O)[O-]

InChI

InChI=1S/C21H21ClN2O4/c22-17-3-1-2-16(12-17)20(26)14-8-10-24(11-9-14)13-19(25)23-18-6-4-15(5-7-18)21(27)28/h1-7,12,14H,8-11,13H2,(H,23,25)(H,27,28)