2-[[4-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)phenyl]carbonylamino]benzoate

Systemtic Name: 2-[[4-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)phenyl]carbonylamino]benzoate Openeye Name: 2-[[4-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)benzoyl]amino]benzoate CAS Name: 2-[[oxo-[4-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)phenyl]methyl]amino]benzoate IUPAC Name: 2-[[4-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)benzoyl]amino]benzoate Traditional Name: 2-[[4-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)benzoyl]amino]benzoate Formula: C24H22N2O3 MolecularWeight: 386.44308

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC2=CC=CC=C21)CC3=CC=C(C=C3)C(=O)NC4=CC=CC=C4C(=O)[O-]

Isomeric SMILES

C1C[NH+](CC2=CC=CC=C21)CC3=CC=C(C=C3)C(=O)NC4=CC=CC=C4C(=O)[O-]

InChI

InChI=1S/C24H22N2O3/c27-23(25-22-8-4-3-7-21(22)24(28)29)19-11-9-17(10-12-19)15-26-14-13-18-5-1-2-6-20(18)16-26/h1-12H,13-16H2,(H,25,27)(H,28,29)