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

Systemtic Name: 3-azanyl-5-[5-[(4-methylphthalazin-2-ium-1-yl)amino]pentyl]-1H-pyrazole-4-carbonitrile Openeye Name: 3-amino-5-[5-[(4-methylphthalazin-2-ium-1-yl)amino]pentyl]-1H-pyrazole-4-carbonitrile CAS Name: 3-amino-5-[5-[(4-methyl-1-phthalazin-2-iumyl)amino]pentyl]-1H-pyrazole-4-carbonitrile IUPAC Name: 3-amino-5-[5-[(4-methylphthalazin-2-ium-1-yl)amino]pentyl]-1H-pyrazole-4-carbonitrile Traditional Name: 3-amino-5-[5-[(4-methylphthalazin-2-ium-1-yl)amino]pentyl]-1H-pyrazole-4-carbonitrile Formula: C18H22N7+ MolecularWeight: 336.41418

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Descriptors Computed from Structure

Canonical SMILES:

CC1=N[NH+]=C(C2=CC=CC=C12)NCCCCCC3=C(C(=NN3)N)C#N

Isomeric SMILES

CC1=N[NH+]=C(C2=CC=CC=C12)NCCCCCC3=C(C(=NN3)N)C#N

InChI

InChI=1S/C18H21N7/c1-12-13-7-4-5-8-14(13)18(25-22-12)21-10-6-2-3-9-16-15(11-19)17(20)24-23-16/h4-5,7-8H,2-3,6,9-10H2,1H3,(H,21,25)(H3,20,23,24)/p+1