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

Systemtic Name: 2-[2-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)ethanoylamino]benzamide Openeye Name: 2-[[2-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)acetyl]amino]benzamide CAS Name: 2-[[2-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)-1-oxoethyl]amino]benzamide IUPAC Name: 2-[[2-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)acetyl]amino]benzamide Traditional Name: 2-[[2-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)acetyl]amino]benzamide Formula: C20H24N3O4+ MolecularWeight: 370.42226

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C[NH+](CCC2=C1)CC(=O)NC3=CC=CC=C3C(=O)N)OC

Isomeric SMILES

COC1=C(C=C2C[NH+](CCC2=C1)CC(=O)NC3=CC=CC=C3C(=O)N)OC

InChI

InChI=1S/C20H23N3O4/c1-26-17-9-13-7-8-23(11-14(13)10-18(17)27-2)12-19(24)22-16-6-4-3-5-15(16)20(21)25/h3-6,9-10H,7-8,11-12H2,1-2H3,(H2,21,25)(H,22,24)/p+1