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

Systemtic Name: 7-[4-[(2,4-dimethylphenyl)methyl]piperazin-4-ium-1-yl]-2-methyl-3-phenyl-5-propyl-pyrazolo[1,5-a]pyrimidine Openeye Name: 7-[4-[(2,4-dimethylphenyl)methyl]piperazin-4-ium-1-yl]-2-methyl-3-phenyl-5-propyl-pyrazolo[1,5-a]pyrimidine CAS Name: 7-[4-[(2,4-dimethylphenyl)methyl]-1-piperazin-4-iumyl]-2-methyl-3-phenyl-5-propylpyrazolo[1,5-a]pyrimidine IUPAC Name: 7-[4-[(2,4-dimethylphenyl)methyl]piperazin-4-ium-1-yl]-2-methyl-3-phenyl-5-propylpyrazolo[1,5-a]pyrimidine Traditional Name: 7-[4-(2,4-dimethylbenzyl)piperazin-4-ium-1-yl]-2-methyl-3-phenyl-5-propyl-pyrazolo[1,5-a]pyrimidine Formula: C29H36N5+ MolecularWeight: 454.62964

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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)C)C5=CC=CC=C5

Isomeric SMILES

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

InChI

InChI=1S/C29H35N5/c1-5-9-26-19-27(34-29(30-26)28(23(4)31-34)24-10-7-6-8-11-24)33-16-14-32(15-17-33)20-25-13-12-21(2)18-22(25)3/h6-8,10-13,18-19H,5,9,14-17,20H2,1-4H3/p+1