2-(4-chlorophenyl)-3,4-dimethyl-7-(4-methylpiperazin-4-ium-1-yl)pyrazolo[3,4-d]pyridazine

Systemtic Name: 2-(4-chlorophenyl)-3,4-dimethyl-7-(4-methylpiperazin-4-ium-1-yl)pyrazolo[3,4-d]pyridazine Openeye Name: 2-(4-chlorophenyl)-3,4-dimethyl-7-(4-methylpiperazin-4-ium-1-yl)pyrazolo[3,4-d]pyridazine CAS Name: 2-(4-chlorophenyl)-3,4-dimethyl-7-(4-methyl-1-piperazin-4-iumyl)pyrazolo[3,4-d]pyridazine IUPAC Name: 2-(4-chlorophenyl)-3,4-dimethyl-7-(4-methylpiperazin-4-ium-1-yl)pyrazolo[3,4-d]pyridazine Traditional Name: 2-(4-chlorophenyl)-3,4-dimethyl-7-(4-methylpiperazin-4-ium-1-yl)pyrazolo[3,4-d]pyridazine Formula: C18H22ClN6+ MolecularWeight: 357.86048

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=NN=C(C2=NN1C3=CC=C(C=C3)Cl)N4CC[NH+](CC4)C)C

Isomeric SMILES

CC1=C2C(=NN=C(C2=NN1C3=CC=C(C=C3)Cl)N4CC[NH+](CC4)C)C

InChI

InChI=1S/C18H21ClN6/c1-12-16-13(2)25(15-6-4-14(19)5-7-15)22-17(16)18(21-20-12)24-10-8-23(3)9-11-24/h4-7H,8-11H2,1-3H3/p+1