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

Systemtic Name: 2-[4-[3-(2-methoxyphenyl)-5-methyl-pyrazolo[1,5-a]pyrimidin-7-yl]piperazin-1-ium-1-yl]ethanenitrile Openeye Name: 2-[4-[3-(2-methoxyphenyl)-5-methyl-pyrazolo[1,5-a]pyrimidin-7-yl]piperazin-1-ium-1-yl]acetonitrile CAS Name: 2-[4-[3-(2-methoxyphenyl)-5-methyl-7-pyrazolo[1,5-a]pyrimidinyl]-1-piperazin-1-iumyl]acetonitrile IUPAC Name: 2-[4-[3-(2-methoxyphenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]piperazin-1-ium-1-yl]acetonitrile Traditional Name: 2-[4-[3-(2-methoxyphenyl)-5-methyl-pyrazolo[1,5-a]pyrimidin-7-yl]piperazin-1-ium-1-yl]acetonitrile Formula: C20H23N6O+ MolecularWeight: 363.43622

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C=NN2C(=C1)N3CC[NH+](CC3)CC#N)C4=CC=CC=C4OC

Isomeric SMILES

CC1=NC2=C(C=NN2C(=C1)N3CC[NH+](CC3)CC#N)C4=CC=CC=C4OC

InChI

InChI=1S/C20H22N6O/c1-15-13-19(25-11-9-24(8-7-21)10-12-25)26-20(23-15)17(14-22-26)16-5-3-4-6-18(16)27-2/h3-6,13-14H,8-12H2,1-2H3/p+1