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

Systemtic Name: 4-[2-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)ethanoylamino]-N,N-diethyl-benzamide Openeye Name: 4-[[2-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)acetyl]amino]-N,N-diethyl-benzamide CAS Name: 4-[[2-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)-1-oxoethyl]amino]-N,N-diethylbenzamide IUPAC Name: 4-[[2-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)acetyl]amino]-N,N-diethylbenzamide Traditional Name: 4-[[2-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)acetyl]amino]-N,N-diethyl-benzamide Formula: C24H32N3O4+ MolecularWeight: 426.52858

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H31N3O4/c1-5-27(6-2)24(29)17-7-9-20(10-8-17)25-23(28)16-26-12-11-18-13-21(30-3)22(31-4)14-19(18)15-26/h7-10,13-14H,5-6,11-12,15-16H2,1-4H3,(H,25,28)/p+1