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

Systemtic Name: 2-methyl-7-[4-(2-methylprop-2-enyl)piperazin-4-ium-1-yl]-3-phenyl-5-propyl-pyrazolo[1,5-a]pyrimidine Openeye Name: 2-methyl-7-[4-(2-methylallyl)piperazin-4-ium-1-yl]-3-phenyl-5-propyl-pyrazolo[1,5-a]pyrimidine CAS Name: 2-methyl-7-[4-(2-methylprop-2-enyl)-1-piperazin-4-iumyl]-3-phenyl-5-propylpyrazolo[1,5-a]pyrimidine IUPAC Name: 2-methyl-7-[4-(2-methylprop-2-enyl)piperazin-4-ium-1-yl]-3-phenyl-5-propylpyrazolo[1,5-a]pyrimidine Traditional Name: 2-methyl-7-[4-(2-methylallyl)piperazin-4-ium-1-yl]-3-phenyl-5-propyl-pyrazolo[1,5-a]pyrimidine Formula: C24H32N5+ MolecularWeight: 390.54438

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H31N5/c1-5-9-21-16-22(28-14-12-27(13-15-28)17-18(2)3)29-24(25-21)23(19(4)26-29)20-10-7-6-8-11-20/h6-8,10-11,16H,2,5,9,12-15,17H2,1,3-4H3/p+1