1,3-benzothiazol-2-ylmethyl-[[4-(2,5-dimethylphenyl)-1-oxidanylidene-phthalazin-2-yl]methyl]-methyl-azanium

Systemtic Name: 1,3-benzothiazol-2-ylmethyl-[[4-(2,5-dimethylphenyl)-1-oxidanylidene-phthalazin-2-yl]methyl]-methyl-azanium Openeye Name: 1,3-benzothiazol-2-ylmethyl-[[4-(2,5-dimethylphenyl)-1-oxo-phthalazin-2-yl]methyl]-methyl-ammonium CAS Name: 1,3-benzothiazol-2-ylmethyl-[[4-(2,5-dimethylphenyl)-1-oxo-2-phthalazinyl]methyl]-methylammonium IUPAC Name: 1,3-benzothiazol-2-ylmethyl-[[4-(2,5-dimethylphenyl)-1-oxophthalazin-2-yl]methyl]-methylazanium Traditional Name: 1,3-benzothiazol-2-ylmethyl-[[4-(2,5-dimethylphenyl)-1-keto-phthalazin-2-yl]methyl]-methyl-ammonium Formula: C26H25N4OS+ MolecularWeight: 441.5679

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)C2=NN(C(=O)C3=CC=CC=C32)C[NH+](C)CC4=NC5=CC=CC=C5S4

Isomeric SMILES

CC1=CC(=C(C=C1)C)C2=NN(C(=O)C3=CC=CC=C32)C[NH+](C)CC4=NC5=CC=CC=C5S4

InChI

InChI=1S/C26H24N4OS/c1-17-12-13-18(2)21(14-17)25-19-8-4-5-9-20(19)26(31)30(28-25)16-29(3)15-24-27-22-10-6-7-11-23(22)32-24/h4-14H,15-16H2,1-3H3/p+1