methyl 3-[4-azanyl-1-(4-methylphenyl)phthalazin-2-ium-2-yl]propane-1-sulfonate chloride

Systemtic Name: methyl 3-[4-azanyl-1-(4-methylphenyl)phthalazin-2-ium-2-yl]propane-1-sulfonate chloride Openeye Name: methyl 3-[4-amino-1-(p-tolyl)phthalazin-2-ium-2-yl]propane-1-sulfonate chloride CAS Name: 3-[4-amino-1-(4-methylphenyl)-2-phthalazin-2-iumyl]-1-propanesulfonic acid chloride IUPAC Name: methyl 3-[4-amino-1-(4-methylphenyl)phthalazin-2-ium-2-yl]propane-1-sulfonate chloride Traditional Name: 3-[4-amino-1-(p-tolyl)phthalazin-2-ium-2-yl]propane-1-sulfonic acid methyl ester chloride Formula: C19H22ClN3O3S MolecularWeight: 407.91428

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=[N+](N=C(C3=CC=CC=C32)N)CCCS(=O)(=O)OC.[Cl-]

Isomeric SMILES

CC1=CC=C(C=C1)C2=[N+](N=C(C3=CC=CC=C32)N)CCCS(=O)(=O)OC.[Cl-]

InChI

InChI=1S/C19H22N3O3S.ClH/c1-14-8-10-15(11-9-14)18-16-6-3-4-7-17(16)19(20)21-22(18)12-5-13-26(23,24)25-2;/h3-4,6-11H,5,12-13H2,1-2H3,(H2,20,21);1H/q+1;/p-1