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

Systemtic Name: methyl 4-[[4-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)phenyl]carbonylamino]benzoate Openeye Name: methyl 4-[[4-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)benzoyl]amino]benzoate CAS Name: 4-[[oxo-[4-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)phenyl]methyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[4-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)benzoyl]amino]benzoate Traditional Name: 4-[[4-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)benzoyl]amino]benzoic acid methyl ester Formula: C25H25N2O3+ MolecularWeight: 401.4776

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)NC(=O)C2=CC=C(C=C2)C[NH+]3CCC4=CC=CC=C4C3

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)NC(=O)C2=CC=C(C=C2)C[NH+]3CCC4=CC=CC=C4C3

InChI

InChI=1S/C25H24N2O3/c1-30-25(29)21-10-12-23(13-11-21)26-24(28)20-8-6-18(7-9-20)16-27-15-14-19-4-2-3-5-22(19)17-27/h2-13H,14-17H2,1H3,(H,26,28)/p+1