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

Systemtic Name: 2-methyl-7-[4-(2-methylprop-2-enyl)piperazin-4-ium-1-yl]-3,5-diphenyl-pyrazolo[1,5-a]pyrimidine Openeye Name: 2-methyl-7-[4-(2-methylallyl)piperazin-4-ium-1-yl]-3,5-diphenyl-pyrazolo[1,5-a]pyrimidine CAS Name: 2-methyl-7-[4-(2-methylprop-2-enyl)-1-piperazin-4-iumyl]-3,5-diphenylpyrazolo[1,5-a]pyrimidine IUPAC Name: 2-methyl-7-[4-(2-methylprop-2-enyl)piperazin-4-ium-1-yl]-3,5-diphenylpyrazolo[1,5-a]pyrimidine Traditional Name: 2-methyl-7-[4-(2-methylallyl)piperazin-4-ium-1-yl]-3,5-diphenyl-pyrazolo[1,5-a]pyrimidine Formula: C27H30N5+ MolecularWeight: 424.5606

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN2C(=CC(=NC2=C1C3=CC=CC=C3)C4=CC=CC=C4)N5CC[NH+](CC5)CC(=C)C

Isomeric SMILES

CC1=NN2C(=CC(=NC2=C1C3=CC=CC=C3)C4=CC=CC=C4)N5CC[NH+](CC5)CC(=C)C

InChI

InChI=1S/C27H29N5/c1-20(2)19-30-14-16-31(17-15-30)25-18-24(22-10-6-4-7-11-22)28-27-26(21(3)29-32(25)27)23-12-8-5-9-13-23/h4-13,18H,1,14-17,19H2,2-3H3/p+1