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

Systemtic Name: 4-[2-[(1R)-6,7-dimethoxy-1-phenyl-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl]ethanoylamino]-N-methyl-benzamide Openeye Name: 4-[[2-[(1R)-6,7-dimethoxy-1-phenyl-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl]acetyl]amino]-N-methyl-benzamide CAS Name: 4-[[2-[(1R)-6,7-dimethoxy-1-phenyl-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl]-1-oxoethyl]amino]-N-methylbenzamide IUPAC Name: 4-[[2-[(1R)-6,7-dimethoxy-1-phenyl-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl]acetyl]amino]-N-methylbenzamide Traditional Name: 4-[[2-[(1R)-6,7-dimethoxy-1-phenyl-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl]acetyl]amino]-N-methyl-benzamide Formula: C27H30N3O4+ MolecularWeight: 460.5448

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)C1=CC=C(C=C1)NC(=O)C[NH+]2CCC3=CC(=C(C=C3C2C4=CC=CC=C4)OC)OC

Isomeric SMILES

CNC(=O)C1=CC=C(C=C1)NC(=O)C[NH+]2CCC3=CC(=C(C=C3[C@H]2C4=CC=CC=C4)OC)OC

InChI

InChI=1S/C27H29N3O4/c1-28-27(32)19-9-11-21(12-10-19)29-25(31)17-30-14-13-20-15-23(33-2)24(34-3)16-22(20)26(30)18-7-5-4-6-8-18/h4-12,15-16,26H,13-14,17H2,1-3H3,(H,28,32)(H,29,31)/p+1/t26-/m1/s1