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

Systemtic Name: 4-[2-[(1R)-6,7-dimethoxy-1-phenyl-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl]ethanoylamino]benzamide Openeye Name: 4-[[2-[(1R)-6,7-dimethoxy-1-phenyl-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl]acetyl]amino]benzamide CAS Name: 4-[[2-[(1R)-6,7-dimethoxy-1-phenyl-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl]-1-oxoethyl]amino]benzamide IUPAC Name: 4-[[2-[(1R)-6,7-dimethoxy-1-phenyl-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl]acetyl]amino]benzamide Traditional Name: 4-[[2-[(1R)-6,7-dimethoxy-1-phenyl-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl]acetyl]amino]benzamide Formula: C26H28N3O4+ MolecularWeight: 446.51822

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C([NH+](CCC2=C1)CC(=O)NC3=CC=C(C=C3)C(=O)N)C4=CC=CC=C4)OC

Isomeric SMILES

COC1=C(C=C2[C@H]([NH+](CCC2=C1)CC(=O)NC3=CC=C(C=C3)C(=O)N)C4=CC=CC=C4)OC

InChI

InChI=1S/C26H27N3O4/c1-32-22-14-19-12-13-29(16-24(30)28-20-10-8-18(9-11-20)26(27)31)25(17-6-4-3-5-7-17)21(19)15-23(22)33-2/h3-11,14-15,25H,12-13,16H2,1-2H3,(H2,27,31)(H,28,30)/p+1/t25-/m1/s1