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

Systemtic Name: 3-[2-[4-(4-methylphenyl)carbonylpiperidin-1-ium-1-yl]ethanoylamino]benzoate Openeye Name: 3-[[2-[4-(4-methylbenzoyl)piperidin-1-ium-1-yl]acetyl]amino]benzoate CAS Name: 3-[[2-[4-[(4-methylphenyl)-oxomethyl]-1-piperidin-1-iumyl]-1-oxoethyl]amino]benzoate IUPAC Name: 3-[[2-[4-(4-methylbenzoyl)piperidin-1-ium-1-yl]acetyl]amino]benzoate Traditional Name: 3-[[2-(4-p-toluoylpiperidin-1-ium-1-yl)acetyl]amino]benzoate Formula: C22H24N2O4 MolecularWeight: 380.43696

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)C2CC[NH+](CC2)CC(=O)NC3=CC=CC(=C3)C(=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)C2CC[NH+](CC2)CC(=O)NC3=CC=CC(=C3)C(=O)[O-]

InChI

InChI=1S/C22H24N2O4/c1-15-5-7-16(8-6-15)21(26)17-9-11-24(12-10-17)14-20(25)23-19-4-2-3-18(13-19)22(27)28/h2-8,13,17H,9-12,14H2,1H3,(H,23,25)(H,27,28)