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

Systemtic Name: 4-(4-aminophenyl)-2-methylsulfanyl-N-propyl-1H-phthalazin-2-ium-2-carboxamide Openeye Name: 4-(4-aminophenyl)-2-methylsulfanyl-N-propyl-1H-phthalazin-2-ium-2-carboxamide CAS Name: 4-(4-aminophenyl)-2-(methylthio)-N-propyl-1H-phthalazin-2-ium-2-carboxamide IUPAC Name: 4-(4-aminophenyl)-2-methylsulfanyl-N-propyl-1H-phthalazin-2-ium-2-carboxamide Traditional Name: 4-(4-aminophenyl)-2-(methylthio)-N-propyl-1H-phthalazin-2-ium-2-carboxamide Formula: C19H23N4OS+ MolecularWeight: 355.47712

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)[N+]1(CC2=CC=CC=C2C(=N1)C3=CC=C(C=C3)N)SC

Isomeric SMILES

CCCNC(=O)[N+]1(CC2=CC=CC=C2C(=N1)C3=CC=C(C=C3)N)SC

InChI

InChI=1S/C19H22N4OS/c1-3-12-21-19(24)23(25-2)13-15-6-4-5-7-17(15)18(22-23)14-8-10-16(20)11-9-14/h4-11H,3,12-13H2,1-2H3,(H2-,20,21,22,24)/p+1