cyclopropyl-[(4-methoxyphenyl)methyl]-[(1-oxidanylidene-4-thiophen-2-yl-phthalazin-2-yl)methyl]azanium

Systemtic Name: cyclopropyl-[(4-methoxyphenyl)methyl]-[(1-oxidanylidene-4-thiophen-2-yl-phthalazin-2-yl)methyl]azanium Openeye Name: cyclopropyl-[(4-methoxyphenyl)methyl]-[[1-oxo-4-(2-thienyl)phthalazin-2-yl]methyl]ammonium CAS Name: cyclopropyl-[(4-methoxyphenyl)methyl]-[(1-oxo-4-thiophen-2-yl-2-phthalazinyl)methyl]ammonium IUPAC Name: cyclopropyl-[(4-methoxyphenyl)methyl]-[(1-oxo-4-thiophen-2-ylphthalazin-2-yl)methyl]azanium Traditional Name: cyclopropyl-[[1-keto-4-(2-thienyl)phthalazin-2-yl]methyl]-p-anisyl-ammonium Formula: C24H24N3O2S+ MolecularWeight: 418.53126

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C[NH+](CN2C(=O)C3=CC=CC=C3C(=N2)C4=CC=CS4)C5CC5

Isomeric SMILES

COC1=CC=C(C=C1)C[NH+](CN2C(=O)C3=CC=CC=C3C(=N2)C4=CC=CS4)C5CC5

InChI

InChI=1S/C24H23N3O2S/c1-29-19-12-8-17(9-13-19)15-26(18-10-11-18)16-27-24(28)21-6-3-2-5-20(21)23(25-27)22-7-4-14-30-22/h2-9,12-14,18H,10-11,15-16H2,1H3/p+1