2-[[5-(3-methylphenyl)-2-oxidanyl-benzotriazol-2-ium-2-yl]methyl]-4,5,6,7-tetrahydroisoindole-1,3-dione

Systemtic Name: 2-[[5-(3-methylphenyl)-2-oxidanyl-benzotriazol-2-ium-2-yl]methyl]-4,5,6,7-tetrahydroisoindole-1,3-dione Openeye Name: 2-[[2-hydroxy-5-(m-tolyl)benzotriazol-2-ium-2-yl]methyl]-4,5,6,7-tetrahydroisoindole-1,3-dione CAS Name: 2-[[2-hydroxy-5-(3-methylphenyl)-2-benzotriazol-2-iumyl]methyl]-4,5,6,7-tetrahydroisoindole-1,3-dione IUPAC Name: 2-[[2-hydroxy-5-(3-methylphenyl)benzotriazol-2-ium-2-yl]methyl]-4,5,6,7-tetrahydroisoindole-1,3-dione Traditional Name: 2-[[2-hydroxy-5-(m-tolyl)benzotriazol-2-ium-2-yl]methyl]-4,5,6,7-tetrahydroisoindole-1,3-quinone Formula: C22H21N4O3+ MolecularWeight: 389.42714

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C2=CC3=N[N+](N=C3C=C2)(CN4C(=O)C5=C(C4=O)CCCC5)O

Isomeric SMILES

CC1=CC=CC(=C1)C2=CC3=N[N+](N=C3C=C2)(CN4C(=O)C5=C(C4=O)CCCC5)O

InChI

InChI=1S/C22H21N4O3/c1-14-5-4-6-15(11-14)16-9-10-19-20(12-16)24-26(29,23-19)13-25-21(27)17-7-2-3-8-18(17)22(25)28/h4-6,9-12,29H,2-3,7-8,13H2,1H3/q+1