N-(2,3-dimethylphenyl)-2-(2-isoquinolin-2-ium-2-ylethanoylamino)ethanamide

Systemtic Name: N-(2,3-dimethylphenyl)-2-(2-isoquinolin-2-ium-2-ylethanoylamino)ethanamide Openeye Name: N-(2,3-dimethylphenyl)-2-[(2-isoquinolin-2-ium-2-ylacetyl)amino]acetamide CAS Name: N-(2,3-dimethylphenyl)-2-[[2-(2-isoquinolin-2-iumyl)-1-oxoethyl]amino]acetamide IUPAC Name: N-(2,3-dimethylphenyl)-2-[(2-isoquinolin-2-ium-2-ylacetyl)amino]acetamide Traditional Name: N-(2,3-dimethylphenyl)-2-[(2-isoquinolin-2-ium-2-ylacetyl)amino]acetamide Formula: C21H22N3O2+ MolecularWeight: 348.41828

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)NC(=O)CNC(=O)C[N+]2=CC3=CC=CC=C3C=C2)C

Isomeric SMILES

CC1=C(C(=CC=C1)NC(=O)CNC(=O)C[N+]2=CC3=CC=CC=C3C=C2)C

InChI

InChI=1S/C21H21N3O2/c1-15-6-5-9-19(16(15)2)23-20(25)12-22-21(26)14-24-11-10-17-7-3-4-8-18(17)13-24/h3-11,13H,12,14H2,1-2H3,(H-,22,23,25,26)/p+1