2-[2-(4-aminophenyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-ium-2-yl]ethanamide

Systemtic Name: 2-[2-(4-aminophenyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-ium-2-yl]ethanamide Openeye Name: 2-[2-(4-aminophenyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-ium-2-yl]acetamide CAS Name: 2-[2-(4-aminophenyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-ium-2-yl]acetamide IUPAC Name: 2-[2-(4-aminophenyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-ium-2-yl]acetamide Traditional Name: 2-[2-(4-aminophenyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-ium-2-yl]acetamide Formula: C19H24N3O3+ MolecularWeight: 342.41216

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H23N3O3/c1-24-17-9-13-7-8-22(12-19(21)23,11-14(13)10-18(17)25-2)16-5-3-15(20)4-6-16/h3-6,9-10H,7-8,11-12,20H2,1-2H3,(H-,21,23)/p+1