N-[(3,4-dimethylphenyl)carbamoyl]-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)ethanamide

Systemtic Name: N-[(3,4-dimethylphenyl)carbamoyl]-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)ethanamide Openeye Name: N-[(3,4-dimethylphenyl)carbamoyl]-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)acetamide CAS Name: N-[(3,4-dimethylanilino)-oxomethyl]-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)acetamide IUPAC Name: N-[(3,4-dimethylphenyl)carbamoyl]-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)acetamide Traditional Name: N-[(3,4-dimethylphenyl)carbamoyl]-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)acetamide Formula: C20H24N3O2+ MolecularWeight: 338.42346

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23N3O2/c1-14-7-8-18(11-15(14)2)21-20(25)22-19(24)13-23-10-9-16-5-3-4-6-17(16)12-23/h3-8,11H,9-10,12-13H2,1-2H3,(H2,21,22,24,25)/p+1