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

Systemtic Name: 5-methyl-7-(4-methylpiperazin-4-ium-1-yl)-3-phenyl-6-prop-2-enyl-pyrazolo[1,5-a]pyrimidine Openeye Name: 6-allyl-5-methyl-7-(4-methylpiperazin-4-ium-1-yl)-3-phenyl-pyrazolo[1,5-a]pyrimidine CAS Name: 5-methyl-7-(4-methyl-1-piperazin-4-iumyl)-3-phenyl-6-prop-2-enylpyrazolo[1,5-a]pyrimidine IUPAC Name: 5-methyl-7-(4-methylpiperazin-4-ium-1-yl)-3-phenyl-6-prop-2-enylpyrazolo[1,5-a]pyrimidine Traditional Name: 6-allyl-5-methyl-7-(4-methylpiperazin-4-ium-1-yl)-3-phenyl-pyrazolo[1,5-a]pyrimidine Formula: C21H26N5+ MolecularWeight: 348.46464

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25N5/c1-4-8-18-16(2)23-20-19(17-9-6-5-7-10-17)15-22-26(20)21(18)25-13-11-24(3)12-14-25/h4-7,9-10,15H,1,8,11-14H2,2-3H3/p+1