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

Systemtic Name: 7-(4-ethylpiperazin-4-ium-1-yl)-5-methyl-3-phenyl-6-prop-2-enyl-pyrazolo[1,5-a]pyrimidine Openeye Name: 6-allyl-7-(4-ethylpiperazin-4-ium-1-yl)-5-methyl-3-phenyl-pyrazolo[1,5-a]pyrimidine CAS Name: 7-(4-ethyl-1-piperazin-4-iumyl)-5-methyl-3-phenyl-6-prop-2-enylpyrazolo[1,5-a]pyrimidine IUPAC Name: 7-(4-ethylpiperazin-4-ium-1-yl)-5-methyl-3-phenyl-6-prop-2-enylpyrazolo[1,5-a]pyrimidine Traditional Name: 6-allyl-7-(4-ethylpiperazin-4-ium-1-yl)-5-methyl-3-phenyl-pyrazolo[1,5-a]pyrimidine Formula: C22H28N5+ MolecularWeight: 362.49122

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C2=C(C(=NC3=C(C=NN32)C4=CC=CC=C4)C)CC=C

Isomeric SMILES

CC[NH+]1CCN(CC1)C2=C(C(=NC3=C(C=NN32)C4=CC=CC=C4)C)CC=C

InChI

InChI=1S/C22H27N5/c1-4-9-19-17(3)24-21-20(18-10-7-6-8-11-18)16-23-27(21)22(19)26-14-12-25(5-2)13-15-26/h4,6-8,10-11,16H,1,5,9,12-15H2,2-3H3/p+1