2-[4-(2,5-dimethyl-3-phenyl-pyrazolo[1,5-a]pyrimidin-7-yl)piperazin-1-ium-1-yl]ethanenitrile

Systemtic Name: 2-[4-(2,5-dimethyl-3-phenyl-pyrazolo[1,5-a]pyrimidin-7-yl)piperazin-1-ium-1-yl]ethanenitrile Openeye Name: 2-[4-(2,5-dimethyl-3-phenyl-pyrazolo[1,5-a]pyrimidin-7-yl)piperazin-1-ium-1-yl]acetonitrile CAS Name: 2-[4-(2,5-dimethyl-3-phenyl-7-pyrazolo[1,5-a]pyrimidinyl)-1-piperazin-1-iumyl]acetonitrile IUPAC Name: 2-[4-(2,5-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-yl)piperazin-1-ium-1-yl]acetonitrile Traditional Name: 2-[4-(2,5-dimethyl-3-phenyl-pyrazolo[1,5-a]pyrimidin-7-yl)piperazin-1-ium-1-yl]acetonitrile Formula: C20H23N6+ MolecularWeight: 347.43682

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C(=NN2C(=C1)N3CC[NH+](CC3)CC#N)C)C4=CC=CC=C4

Isomeric SMILES

CC1=NC2=C(C(=NN2C(=C1)N3CC[NH+](CC3)CC#N)C)C4=CC=CC=C4

InChI

InChI=1S/C20H22N6/c1-15-14-18(25-12-10-24(9-8-21)11-13-25)26-20(22-15)19(16(2)23-26)17-6-4-3-5-7-17/h3-7,14H,9-13H2,1-2H3/p+1