2-[4-(5,6-dimethyl-3-phenyl-pyrazolo[1,5-a]pyrimidin-7-yl)piperazin-1-ium-1-yl]ethanenitrile

Systemtic Name: 2-[4-(5,6-dimethyl-3-phenyl-pyrazolo[1,5-a]pyrimidin-7-yl)piperazin-1-ium-1-yl]ethanenitrile Openeye Name: 2-[4-(5,6-dimethyl-3-phenyl-pyrazolo[1,5-a]pyrimidin-7-yl)piperazin-1-ium-1-yl]acetonitrile CAS Name: 2-[4-(5,6-dimethyl-3-phenyl-7-pyrazolo[1,5-a]pyrimidinyl)-1-piperazin-1-iumyl]acetonitrile IUPAC Name: 2-[4-(5,6-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-yl)piperazin-1-ium-1-yl]acetonitrile Traditional Name: 2-[4-(5,6-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=C(N2C(=C(C=N2)C3=CC=CC=C3)N=C1C)N4CC[NH+](CC4)CC#N

Isomeric SMILES

CC1=C(N2C(=C(C=N2)C3=CC=CC=C3)N=C1C)N4CC[NH+](CC4)CC#N

InChI

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