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

Systemtic Name: 7-(4-ethylpiperazin-4-ium-1-yl)-2-methyl-3-phenyl-5-propyl-pyrazolo[1,5-a]pyrimidine Openeye Name: 7-(4-ethylpiperazin-4-ium-1-yl)-2-methyl-3-phenyl-5-propyl-pyrazolo[1,5-a]pyrimidine CAS Name: 7-(4-ethyl-1-piperazin-4-iumyl)-2-methyl-3-phenyl-5-propylpyrazolo[1,5-a]pyrimidine IUPAC Name: 7-(4-ethylpiperazin-4-ium-1-yl)-2-methyl-3-phenyl-5-propylpyrazolo[1,5-a]pyrimidine Traditional Name: 7-(4-ethylpiperazin-4-ium-1-yl)-2-methyl-3-phenyl-5-propyl-pyrazolo[1,5-a]pyrimidine Formula: C22H30N5+ MolecularWeight: 364.5071

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H29N5/c1-4-9-19-16-20(26-14-12-25(5-2)13-15-26)27-22(23-19)21(17(3)24-27)18-10-7-6-8-11-18/h6-8,10-11,16H,4-5,9,12-15H2,1-3H3/p+1