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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C[NH+]2CCN(CC2)C3=CC(=NC4=C(C(=NN34)C)C5=CC=CC=C5)C(C)C)C

Isomeric SMILES

CC1=CC(=C(C=C1)C[NH+]2CCN(CC2)C3=CC(=NC4=C(C(=NN34)C)C5=CC=CC=C5)C(C)C)C

InChI

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