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

Systemtic Name: 2-[4-(2-methyl-3-phenyl-5-propyl-pyrazolo[1,5-a]pyrimidin-7-yl)piperazin-1-ium-1-yl]ethanenitrile Openeye Name: 2-[4-(2-methyl-3-phenyl-5-propyl-pyrazolo[1,5-a]pyrimidin-7-yl)piperazin-1-ium-1-yl]acetonitrile CAS Name: 2-[4-(2-methyl-3-phenyl-5-propyl-7-pyrazolo[1,5-a]pyrimidinyl)-1-piperazin-1-iumyl]acetonitrile IUPAC Name: 2-[4-(2-methyl-3-phenyl-5-propylpyrazolo[1,5-a]pyrimidin-7-yl)piperazin-1-ium-1-yl]acetonitrile Traditional Name: 2-[4-(2-methyl-3-phenyl-5-propyl-pyrazolo[1,5-a]pyrimidin-7-yl)piperazin-1-ium-1-yl]acetonitrile Formula: C22H27N6+ MolecularWeight: 375.48998

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC2=C(C(=NN2C(=C1)N3CC[NH+](CC3)CC#N)C)C4=CC=CC=C4

Isomeric SMILES

CCCC1=NC2=C(C(=NN2C(=C1)N3CC[NH+](CC3)CC#N)C)C4=CC=CC=C4

InChI

InChI=1S/C22H26N6/c1-3-7-19-16-20(27-14-12-26(11-10-23)13-15-27)28-22(24-19)21(17(2)25-28)18-8-5-4-6-9-18/h4-6,8-9,16H,3,7,11-15H2,1-2H3/p+1