1-[[4-(4-chlorophenyl)piperazin-1-ium-1-yl]methyl]pyrazolo[5,1-a]isoquinoline

Systemtic Name: 1-[[4-(4-chlorophenyl)piperazin-1-ium-1-yl]methyl]pyrazolo[5,1-a]isoquinoline Openeye Name: 1-[[4-(4-chlorophenyl)piperazin-1-ium-1-yl]methyl]pyrazolo[5,1-a]isoquinoline CAS Name: 1-[[4-(4-chlorophenyl)-1-piperazin-1-iumyl]methyl]pyrazolo[5,1-a]isoquinoline IUPAC Name: 1-[[4-(4-chlorophenyl)piperazin-1-ium-1-yl]methyl]pyrazolo[5,1-a]isoquinoline Traditional Name: 1-[[4-(4-chlorophenyl)piperazin-1-ium-1-yl]methyl]pyrazol[5,1-a]isoquinoline Formula: C22H22ClN4+ MolecularWeight: 377.88988

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=C3C4=CC=CC=C4C=CN3N=C2)C5=CC=C(C=C5)Cl

Isomeric SMILES

C1CN(CC[NH+]1CC2=C3C4=CC=CC=C4C=CN3N=C2)C5=CC=C(C=C5)Cl

InChI

InChI=1S/C22H21ClN4/c23-19-5-7-20(8-6-19)26-13-11-25(12-14-26)16-18-15-24-27-10-9-17-3-1-2-4-21(17)22(18)27/h1-10,15H,11-14,16H2/p+1