3-azanyl-5-[3-[methyl-(4-methylphthalazin-2-ium-1-yl)amino]propyl]-1H-pyrazole-4-carbonitrile

Systemtic Name: 3-azanyl-5-[3-[methyl-(4-methylphthalazin-2-ium-1-yl)amino]propyl]-1H-pyrazole-4-carbonitrile Openeye Name: 3-amino-5-[3-[methyl-(4-methylphthalazin-2-ium-1-yl)amino]propyl]-1H-pyrazole-4-carbonitrile CAS Name: 3-amino-5-[3-[methyl-(4-methyl-1-phthalazin-2-iumyl)amino]propyl]-1H-pyrazole-4-carbonitrile IUPAC Name: 3-amino-5-[3-[methyl-(4-methylphthalazin-2-ium-1-yl)amino]propyl]-1H-pyrazole-4-carbonitrile Traditional Name: 3-amino-5-[3-[methyl-(4-methylphthalazin-2-ium-1-yl)amino]propyl]-1H-pyrazole-4-carbonitrile Formula: C17H20N7+ MolecularWeight: 322.3876

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Descriptors Computed from Structure

Canonical SMILES:

CC1=N[NH+]=C(C2=CC=CC=C12)N(C)CCCC3=C(C(=NN3)N)C#N

Isomeric SMILES

CC1=N[NH+]=C(C2=CC=CC=C12)N(C)CCCC3=C(C(=NN3)N)C#N

InChI

InChI=1S/C17H19N7/c1-11-12-6-3-4-7-13(12)17(23-20-11)24(2)9-5-8-15-14(10-18)16(19)22-21-15/h3-4,6-7H,5,8-9H2,1-2H3,(H3,19,21,22)/p+1