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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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