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

Systemtic Name: N-[(3,4-diethoxyphenyl)carbamoyl]-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)ethanamide Openeye Name: N-[(3,4-diethoxyphenyl)carbamoyl]-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)acetamide CAS Name: N-[(3,4-diethoxyanilino)-oxomethyl]-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)acetamide IUPAC Name: N-[(3,4-diethoxyphenyl)carbamoyl]-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)acetamide Traditional Name: N-[(3,4-diethoxyphenyl)carbamoyl]-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)acetamide Formula: C22H28N3O4+ MolecularWeight: 398.47542

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)NC(=O)NC(=O)C[NH+]2CCC3=CC=CC=C3C2)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)NC(=O)NC(=O)C[NH+]2CCC3=CC=CC=C3C2)OCC

InChI

InChI=1S/C22H27N3O4/c1-3-28-19-10-9-18(13-20(19)29-4-2)23-22(27)24-21(26)15-25-12-11-16-7-5-6-8-17(16)14-25/h5-10,13H,3-4,11-12,14-15H2,1-2H3,(H2,23,24,26,27)/p+1