4-(4-aminophenyl)-1-methyl-2-methylsulfanyl-N-propyl-1H-phthalazin-2-ium-2-carboxamide

Systemtic Name: 4-(4-aminophenyl)-1-methyl-2-methylsulfanyl-N-propyl-1H-phthalazin-2-ium-2-carboxamide Openeye Name: 4-(4-aminophenyl)-1-methyl-2-methylsulfanyl-N-propyl-1H-phthalazin-2-ium-2-carboxamide CAS Name: 4-(4-aminophenyl)-1-methyl-2-(methylthio)-N-propyl-1H-phthalazin-2-ium-2-carboxamide IUPAC Name: 4-(4-aminophenyl)-1-methyl-2-methylsulfanyl-N-propyl-1H-phthalazin-2-ium-2-carboxamide Traditional Name: 4-(4-aminophenyl)-1-methyl-2-(methylthio)-N-propyl-1H-phthalazin-2-ium-2-carboxamide Formula: C20H25N4OS+ MolecularWeight: 369.5037

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)[N+]1(C(C2=CC=CC=C2C(=N1)C3=CC=C(C=C3)N)C)SC

Isomeric SMILES

CCCNC(=O)[N+]1(C(C2=CC=CC=C2C(=N1)C3=CC=C(C=C3)N)C)SC

InChI

InChI=1S/C20H24N4OS/c1-4-13-22-20(25)24(26-3)14(2)17-7-5-6-8-18(17)19(23-24)15-9-11-16(21)12-10-15/h5-12,14H,4,13H2,1-3H3,(H2-,21,22,23,25)/p+1