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

Systemtic Name: 2-[4-(3-phenyl-5-propyl-pyrazolo[1,5-a]pyrimidin-7-yl)piperazin-1-ium-1-yl]ethanenitrile Openeye Name: 2-[4-(3-phenyl-5-propyl-pyrazolo[1,5-a]pyrimidin-7-yl)piperazin-1-ium-1-yl]acetonitrile CAS Name: 2-[4-(3-phenyl-5-propyl-7-pyrazolo[1,5-a]pyrimidinyl)-1-piperazin-1-iumyl]acetonitrile IUPAC Name: 2-[4-(3-phenyl-5-propylpyrazolo[1,5-a]pyrimidin-7-yl)piperazin-1-ium-1-yl]acetonitrile Traditional Name: 2-[4-(3-phenyl-5-propyl-pyrazolo[1,5-a]pyrimidin-7-yl)piperazin-1-ium-1-yl]acetonitrile Formula: C21H25N6+ MolecularWeight: 361.4634

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24N6/c1-2-6-18-15-20(26-13-11-25(10-9-22)12-14-26)27-21(24-18)19(16-23-27)17-7-4-3-5-8-17/h3-5,7-8,15-16H,2,6,10-14H2,1H3/p+1