methyl-[(4-methylsulfanylphenyl)methyl]-[(1-oxidanylidenephthalazin-2-yl)methyl]azanium

Systemtic Name: methyl-[(4-methylsulfanylphenyl)methyl]-[(1-oxidanylidenephthalazin-2-yl)methyl]azanium Openeye Name: methyl-[(4-methylsulfanylphenyl)methyl]-[(1-oxophthalazin-2-yl)methyl]ammonium CAS Name: methyl-[[4-(methylthio)phenyl]methyl]-[(1-oxo-2-phthalazinyl)methyl]ammonium IUPAC Name: methyl-[(4-methylsulfanylphenyl)methyl]-[(1-oxophthalazin-2-yl)methyl]azanium Traditional Name: (1-ketophthalazin-2-yl)methyl-methyl-[4-(methylthio)benzyl]ammonium Formula: C18H20N3OS+ MolecularWeight: 326.4359

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CC=C(C=C1)SC)CN2C(=O)C3=CC=CC=C3C=N2

Isomeric SMILES

C[NH+](CC1=CC=C(C=C1)SC)CN2C(=O)C3=CC=CC=C3C=N2

InChI

InChI=1S/C18H19N3OS/c1-20(12-14-7-9-16(23-2)10-8-14)13-21-18(22)17-6-4-3-5-15(17)11-19-21/h3-11H,12-13H2,1-2H3/p+1