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

Systemtic Name: 3-[2-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)ethanoylamino]-N-methyl-benzamide Openeye Name: 3-[[2-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)acetyl]amino]-N-methyl-benzamide CAS Name: 3-[[2-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)-1-oxoethyl]amino]-N-methylbenzamide IUPAC Name: 3-[[2-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)acetyl]amino]-N-methylbenzamide Traditional Name: 3-[[2-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)acetyl]amino]-N-methyl-benzamide Formula: C21H26N3O4+ MolecularWeight: 384.44884

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)C1=CC(=CC=C1)NC(=O)C[NH+]2CCC3=CC(=C(C=C3C2)OC)OC

Isomeric SMILES

CNC(=O)C1=CC(=CC=C1)NC(=O)C[NH+]2CCC3=CC(=C(C=C3C2)OC)OC

InChI

InChI=1S/C21H25N3O4/c1-22-21(26)15-5-4-6-17(9-15)23-20(25)13-24-8-7-14-10-18(27-2)19(28-3)11-16(14)12-24/h4-6,9-11H,7-8,12-13H2,1-3H3,(H,22,26)(H,23,25)/p+1