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

Systemtic Name: [4-(2,5-dimethylphenyl)-1-oxidanylidene-phthalazin-2-yl]methyl-ethyl-(thiophen-2-ylmethyl)azanium Openeye Name: [4-(2,5-dimethylphenyl)-1-oxo-phthalazin-2-yl]methyl-ethyl-(2-thienylmethyl)ammonium CAS Name: [4-(2,5-dimethylphenyl)-1-oxo-2-phthalazinyl]methyl-ethyl-(thiophen-2-ylmethyl)ammonium IUPAC Name: [4-(2,5-dimethylphenyl)-1-oxophthalazin-2-yl]methyl-ethyl-(thiophen-2-ylmethyl)azanium Traditional Name: [4-(2,5-dimethylphenyl)-1-keto-phthalazin-2-yl]methyl-ethyl-(2-thenyl)ammonium Formula: C24H26N3OS+ MolecularWeight: 404.54774

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC1=CC=CS1)CN2C(=O)C3=CC=CC=C3C(=N2)C4=C(C=CC(=C4)C)C

Isomeric SMILES

CC[NH+](CC1=CC=CS1)CN2C(=O)C3=CC=CC=C3C(=N2)C4=C(C=CC(=C4)C)C

InChI

InChI=1S/C24H25N3OS/c1-4-26(15-19-8-7-13-29-19)16-27-24(28)21-10-6-5-9-20(21)23(25-27)22-14-17(2)11-12-18(22)3/h5-14H,4,15-16H2,1-3H3/p+1