ethyl 2-[2-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)ethanoylamino]benzoate

Systemtic Name: ethyl 2-[2-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)ethanoylamino]benzoate Openeye Name: ethyl 2-[[2-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)acetyl]amino]benzoate CAS Name: 2-[[2-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)-1-oxoethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 2-[[2-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)acetyl]amino]benzoate Traditional Name: 2-[[2-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)acetyl]amino]benzoic acid ethyl ester Formula: C22H27N2O5+ MolecularWeight: 399.46018

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=CC=C1NC(=O)C[NH+]2CCC3=CC(=C(C=C3C2)OC)OC

Isomeric SMILES

CCOC(=O)C1=CC=CC=C1NC(=O)C[NH+]2CCC3=CC(=C(C=C3C2)OC)OC

InChI

InChI=1S/C22H26N2O5/c1-4-29-22(26)17-7-5-6-8-18(17)23-21(25)14-24-10-9-15-11-19(27-2)20(28-3)12-16(15)13-24/h5-8,11-12H,4,9-10,13-14H2,1-3H3,(H,23,25)/p+1