N-(2-methoxy-5-methyl-phenyl)-2-[2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)ethanoylamino]ethanamide

Systemtic Name: N-(2-methoxy-5-methyl-phenyl)-2-[2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)ethanoylamino]ethanamide Openeye Name: N-(2-methoxy-5-methyl-phenyl)-2-[[2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)acetyl]amino]acetamide CAS Name: N-(2-methoxy-5-methylphenyl)-2-[[1-oxo-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)ethyl]amino]acetamide IUPAC Name: N-(2-methoxy-5-methylphenyl)-2-[[2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)acetyl]amino]acetamide Traditional Name: N-(2-methoxy-5-methyl-phenyl)-2-[[2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)acetyl]amino]acetamide Formula: C21H26N3O3+ MolecularWeight: 368.44944

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC)NC(=O)CNC(=O)C[NH+]2CCC3=CC=CC=C3C2

Isomeric SMILES

CC1=CC(=C(C=C1)OC)NC(=O)CNC(=O)C[NH+]2CCC3=CC=CC=C3C2

InChI

InChI=1S/C21H25N3O3/c1-15-7-8-19(27-2)18(11-15)23-20(25)12-22-21(26)14-24-10-9-16-5-3-4-6-17(16)13-24/h3-8,11H,9-10,12-14H2,1-2H3,(H,22,26)(H,23,25)/p+1