N-(3-cyanophenyl)-2-[(1S)-6,7-dimethoxy-1-methyl-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl]ethanamide

Systemtic Name: N-(3-cyanophenyl)-2-[(1S)-6,7-dimethoxy-1-methyl-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl]ethanamide Openeye Name: N-(3-cyanophenyl)-2-[(1S)-6,7-dimethoxy-1-methyl-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl]acetamide CAS Name: N-(3-cyanophenyl)-2-[(1S)-6,7-dimethoxy-1-methyl-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl]acetamide IUPAC Name: N-(3-cyanophenyl)-2-[(1S)-6,7-dimethoxy-1-methyl-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl]acetamide Traditional Name: N-(3-cyanophenyl)-2-[(1S)-6,7-dimethoxy-1-methyl-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl]acetamide Formula: C21H24N3O3+ MolecularWeight: 366.43356

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Descriptors Computed from Structure

Canonical SMILES:

CC1C2=CC(=C(C=C2CC[NH+]1CC(=O)NC3=CC=CC(=C3)C#N)OC)OC

Isomeric SMILES

C[C@H]1C2=CC(=C(C=C2CC[NH+]1CC(=O)NC3=CC=CC(=C3)C#N)OC)OC

InChI

InChI=1S/C21H23N3O3/c1-14-18-11-20(27-3)19(26-2)10-16(18)7-8-24(14)13-21(25)23-17-6-4-5-15(9-17)12-22/h4-6,9-11,14H,7-8,13H2,1-3H3,(H,23,25)/p+1/t14-/m0/s1