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

Systemtic Name: 7-[4-[(4-chlorophenyl)methyl]piperazin-4-ium-1-yl]-2-methyl-3-phenyl-5-propan-2-yl-pyrazolo[1,5-a]pyrimidine Openeye Name: 7-[4-[(4-chlorophenyl)methyl]piperazin-4-ium-1-yl]-5-isopropyl-2-methyl-3-phenyl-pyrazolo[1,5-a]pyrimidine CAS Name: 7-[4-[(4-chlorophenyl)methyl]-1-piperazin-4-iumyl]-2-methyl-3-phenyl-5-propan-2-ylpyrazolo[1,5-a]pyrimidine IUPAC Name: 7-[4-[(4-chlorophenyl)methyl]piperazin-4-ium-1-yl]-2-methyl-3-phenyl-5-propan-2-ylpyrazolo[1,5-a]pyrimidine Traditional Name: 7-[4-(4-chlorobenzyl)piperazin-4-ium-1-yl]-5-isopropyl-2-methyl-3-phenyl-pyrazolo[1,5-a]pyrimidine Formula: C27H31ClN5+ MolecularWeight: 461.02154

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN2C(=CC(=NC2=C1C3=CC=CC=C3)C(C)C)N4CC[NH+](CC4)CC5=CC=C(C=C5)Cl

Isomeric SMILES

CC1=NN2C(=CC(=NC2=C1C3=CC=CC=C3)C(C)C)N4CC[NH+](CC4)CC5=CC=C(C=C5)Cl

InChI

InChI=1S/C27H30ClN5/c1-19(2)24-17-25(32-15-13-31(14-16-32)18-21-9-11-23(28)12-10-21)33-27(29-24)26(20(3)30-33)22-7-5-4-6-8-22/h4-12,17,19H,13-16,18H2,1-3H3/p+1