2-[[1-(phenylmethyl)piperidin-1-ium-4-yl]carbamoyl]benzoate

Systemtic Name: 2-[[1-(phenylmethyl)piperidin-1-ium-4-yl]carbamoyl]benzoate Openeye Name: 2-[(1-benzylpiperidin-1-ium-4-yl)carbamoyl]benzoate CAS Name: 2-[oxo-[[1-(phenylmethyl)-4-piperidin-1-iumyl]amino]methyl]benzoate IUPAC Name: 2-[(1-benzylpiperidin-1-ium-4-yl)carbamoyl]benzoate Traditional Name: 2-[(1-benzylpiperidin-1-ium-4-yl)carbamoyl]benzoate Formula: C20H22N2O3 MolecularWeight: 338.40028

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1NC(=O)C2=CC=CC=C2C(=O)[O-])CC3=CC=CC=C3

Isomeric SMILES

C1C[NH+](CCC1NC(=O)C2=CC=CC=C2C(=O)[O-])CC3=CC=CC=C3

InChI

InChI=1S/C20H22N2O3/c23-19(17-8-4-5-9-18(17)20(24)25)21-16-10-12-22(13-11-16)14-15-6-2-1-3-7-15/h1-9,16H,10-14H2,(H,21,23)(H,24,25)