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

Systemtic Name: 5-methyl-7-[4-(2-methylprop-2-enyl)piperazin-4-ium-1-yl]-3-phenyl-6-prop-2-enyl-pyrazolo[1,5-a]pyrimidine Openeye Name: 6-allyl-5-methyl-7-[4-(2-methylallyl)piperazin-4-ium-1-yl]-3-phenyl-pyrazolo[1,5-a]pyrimidine CAS Name: 5-methyl-7-[4-(2-methylprop-2-enyl)-1-piperazin-4-iumyl]-3-phenyl-6-prop-2-enylpyrazolo[1,5-a]pyrimidine IUPAC Name: 5-methyl-7-[4-(2-methylprop-2-enyl)piperazin-4-ium-1-yl]-3-phenyl-6-prop-2-enylpyrazolo[1,5-a]pyrimidine Traditional Name: 6-allyl-5-methyl-7-[4-(2-methylallyl)piperazin-4-ium-1-yl]-3-phenyl-pyrazolo[1,5-a]pyrimidine Formula: C24H30N5+ MolecularWeight: 388.5285

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H29N5/c1-5-9-21-19(4)26-23-22(20-10-7-6-8-11-20)16-25-29(23)24(21)28-14-12-27(13-15-28)17-18(2)3/h5-8,10-11,16H,1-2,9,12-15,17H2,3-4H3/p+1