N-(4-cyanophenyl)-3-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)propanamide

Systemtic Name: N-(4-cyanophenyl)-3-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)propanamide Openeye Name: N-(4-cyanophenyl)-3-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)propanamide CAS Name: N-(4-cyanophenyl)-3-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)propanamide IUPAC Name: N-(4-cyanophenyl)-3-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)propanamide Traditional Name: N-(4-cyanophenyl)-3-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)propionamide Formula: C21H24N3O3+ MolecularWeight: 366.43356

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23N3O3/c1-26-19-11-16-7-9-24(14-17(16)12-20(19)27-2)10-8-21(25)23-18-5-3-15(13-22)4-6-18/h3-6,11-12H,7-10,14H2,1-2H3,(H,23,25)/p+1