N-(3,5-dimethoxyphenyl)-3-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)propanamide

Systemtic Name: N-(3,5-dimethoxyphenyl)-3-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)propanamide Openeye Name: N-(3,5-dimethoxyphenyl)-3-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)propanamide CAS Name: N-(3,5-dimethoxyphenyl)-3-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)propanamide IUPAC Name: N-(3,5-dimethoxyphenyl)-3-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)propanamide Traditional Name: N-(3,5-dimethoxyphenyl)-3-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)propionamide Formula: C20H25N2O3+ MolecularWeight: 341.4241

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1)NC(=O)CC[NH+]2CCC3=CC=CC=C3C2)OC

Isomeric SMILES

COC1=CC(=CC(=C1)NC(=O)CC[NH+]2CCC3=CC=CC=C3C2)OC

InChI

InChI=1S/C20H24N2O3/c1-24-18-11-17(12-19(13-18)25-2)21-20(23)8-10-22-9-7-15-5-3-4-6-16(15)14-22/h3-6,11-13H,7-10,14H2,1-2H3,(H,21,23)/p+1