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

Systemtic Name: 7-[4-[(2,4-dimethylphenyl)methyl]piperazin-4-ium-1-yl]-3-phenyl-5-propyl-pyrazolo[1,5-a]pyrimidine Openeye Name: 7-[4-[(2,4-dimethylphenyl)methyl]piperazin-4-ium-1-yl]-3-phenyl-5-propyl-pyrazolo[1,5-a]pyrimidine CAS Name: 7-[4-[(2,4-dimethylphenyl)methyl]-1-piperazin-4-iumyl]-3-phenyl-5-propylpyrazolo[1,5-a]pyrimidine IUPAC Name: 7-[4-[(2,4-dimethylphenyl)methyl]piperazin-4-ium-1-yl]-3-phenyl-5-propylpyrazolo[1,5-a]pyrimidine Traditional Name: 7-[4-(2,4-dimethylbenzyl)piperazin-4-ium-1-yl]-3-phenyl-5-propyl-pyrazolo[1,5-a]pyrimidine Formula: C28H34N5+ MolecularWeight: 440.60306

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC2=C(C=NN2C(=C1)N3CC[NH+](CC3)CC4=C(C=C(C=C4)C)C)C5=CC=CC=C5

Isomeric SMILES

CCCC1=NC2=C(C=NN2C(=C1)N3CC[NH+](CC3)CC4=C(C=C(C=C4)C)C)C5=CC=CC=C5

InChI

InChI=1S/C28H33N5/c1-4-8-25-18-27(33-28(30-25)26(19-29-33)23-9-6-5-7-10-23)32-15-13-31(14-16-32)20-24-12-11-21(2)17-22(24)3/h5-7,9-12,17-19H,4,8,13-16,20H2,1-3H3/p+1