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

Systemtic Name: 7-[4-[(5-chloranyl-2-methoxy-phenyl)methyl]piperazin-4-ium-1-yl]-2-ethyl-5-methyl-3-phenyl-pyrazolo[1,5-a]pyrimidine Openeye Name: 7-[4-[(5-chloro-2-methoxy-phenyl)methyl]piperazin-4-ium-1-yl]-2-ethyl-5-methyl-3-phenyl-pyrazolo[1,5-a]pyrimidine CAS Name: 7-[4-[(5-chloro-2-methoxyphenyl)methyl]-1-piperazin-4-iumyl]-2-ethyl-5-methyl-3-phenylpyrazolo[1,5-a]pyrimidine IUPAC Name: 7-[4-[(5-chloro-2-methoxyphenyl)methyl]piperazin-4-ium-1-yl]-2-ethyl-5-methyl-3-phenylpyrazolo[1,5-a]pyrimidine Traditional Name: 7-[4-(5-chloro-2-methoxy-benzyl)piperazin-4-ium-1-yl]-2-ethyl-5-methyl-3-phenyl-pyrazolo[1,5-a]pyrimidine Formula: C27H31ClN5O+ MolecularWeight: 477.02094

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NN2C(=CC(=NC2=C1C3=CC=CC=C3)C)N4CC[NH+](CC4)CC5=C(C=CC(=C5)Cl)OC

Isomeric SMILES

CCC1=NN2C(=CC(=NC2=C1C3=CC=CC=C3)C)N4CC[NH+](CC4)CC5=C(C=CC(=C5)Cl)OC

InChI

InChI=1S/C27H30ClN5O/c1-4-23-26(20-8-6-5-7-9-20)27-29-19(2)16-25(33(27)30-23)32-14-12-31(13-15-32)18-21-17-22(28)10-11-24(21)34-3/h5-11,16-17H,4,12-15,18H2,1-3H3/p+1