3-[[4-(3,4-dimethylphenyl)phthalazin-2-ium-1-yl]amino]propyl-dimethyl-azanium

Systemtic Name: 3-[[4-(3,4-dimethylphenyl)phthalazin-2-ium-1-yl]amino]propyl-dimethyl-azanium Openeye Name: 3-[[4-(3,4-dimethylphenyl)phthalazin-2-ium-1-yl]amino]propyl-dimethyl-ammonium CAS Name: 3-[[4-(3,4-dimethylphenyl)-1-phthalazin-2-iumyl]amino]propyl-dimethylammonium IUPAC Name: 3-[[4-(3,4-dimethylphenyl)phthalazin-2-ium-1-yl]amino]propyl-dimethylazanium Traditional Name: 3-[[4-(3,4-dimethylphenyl)phthalazin-2-ium-1-yl]amino]propyl-dimethyl-ammonium Formula: C21H28N4+2 MolecularWeight: 336.47382

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=N[NH+]=C(C3=CC=CC=C32)NCCC[NH+](C)C)C

Isomeric SMILES

CC1=C(C=C(C=C1)C2=N[NH+]=C(C3=CC=CC=C32)NCCC[NH+](C)C)C

InChI

InChI=1S/C21H26N4/c1-15-10-11-17(14-16(15)2)20-18-8-5-6-9-19(18)21(24-23-20)22-12-7-13-25(3)4/h5-6,8-11,14H,7,12-13H2,1-4H3,(H,22,24)/p+2