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

Systemtic Name: 2-[4-(5-methyl-3-phenyl-6-prop-2-enyl-pyrazolo[1,5-a]pyrimidin-7-yl)piperazin-1-ium-1-yl]ethanenitrile Openeye Name: 2-[4-(6-allyl-5-methyl-3-phenyl-pyrazolo[1,5-a]pyrimidin-7-yl)piperazin-1-ium-1-yl]acetonitrile CAS Name: 2-[4-(5-methyl-3-phenyl-6-prop-2-enyl-7-pyrazolo[1,5-a]pyrimidinyl)-1-piperazin-1-iumyl]acetonitrile IUPAC Name: 2-[4-(5-methyl-3-phenyl-6-prop-2-enylpyrazolo[1,5-a]pyrimidin-7-yl)piperazin-1-ium-1-yl]acetonitrile Traditional Name: 2-[4-(6-allyl-5-methyl-3-phenyl-pyrazolo[1,5-a]pyrimidin-7-yl)piperazin-1-ium-1-yl]acetonitrile Formula: C22H25N6+ MolecularWeight: 373.4741

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C=NN2C(=C1CC=C)N3CC[NH+](CC3)CC#N)C4=CC=CC=C4

Isomeric SMILES

CC1=NC2=C(C=NN2C(=C1CC=C)N3CC[NH+](CC3)CC#N)C4=CC=CC=C4

InChI

InChI=1S/C22H24N6/c1-3-7-19-17(2)25-21-20(18-8-5-4-6-9-18)16-24-28(21)22(19)27-14-12-26(11-10-23)13-15-27/h3-6,8-9,16H,1,7,11-15H2,2H3/p+1