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

Systemtic Name: ethyl 2-[[4-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)phenyl]carbonylamino]benzoate Openeye Name: ethyl 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]benzoic acid ethyl ester IUPAC Name: ethyl 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]benzoic acid ethyl ester Formula: C26H27N2O3+ MolecularWeight: 415.50418

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=CC=C1NC(=O)C2=CC=C(C=C2)C[NH+]3CCC4=CC=CC=C4C3

Isomeric SMILES

CCOC(=O)C1=CC=CC=C1NC(=O)C2=CC=C(C=C2)C[NH+]3CCC4=CC=CC=C4C3

InChI

InChI=1S/C26H26N2O3/c1-2-31-26(30)23-9-5-6-10-24(23)27-25(29)21-13-11-19(12-14-21)17-28-16-15-20-7-3-4-8-22(20)18-28/h3-14H,2,15-18H2,1H3,(H,27,29)/p+1