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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OC)NC(=O)C2=CC=C(C=C2)C[NH+]3CCC4=CC=CC=C4C3

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OC)NC(=O)C2=CC=C(C=C2)C[NH+]3CCC4=CC=CC=C4C3

InChI

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