(2-methylphenyl)-[4-[6-(4-methylpiperazin-4-ium-1-yl)pyridazin-3-yl]piperazin-1-yl]methanone

Systemtic Name: (2-methylphenyl)-[4-[6-(4-methylpiperazin-4-ium-1-yl)pyridazin-3-yl]piperazin-1-yl]methanone Openeye Name: [4-[6-(4-methylpiperazin-4-ium-1-yl)pyridazin-3-yl]piperazin-1-yl]-(o-tolyl)methanone CAS Name: (2-methylphenyl)-[4-[6-(4-methyl-1-piperazin-4-iumyl)-3-pyridazinyl]-1-piperazinyl]methanone IUPAC Name: (2-methylphenyl)-[4-[6-(4-methylpiperazin-4-ium-1-yl)pyridazin-3-yl]piperazin-1-yl]methanone Traditional Name: [4-[6-(4-methylpiperazin-4-ium-1-yl)pyridazin-3-yl]piperazino]-(o-tolyl)methanone Formula: C21H29N6O+ MolecularWeight: 381.49456

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)N2CCN(CC2)C3=NN=C(C=C3)N4CC[NH+](CC4)C

Isomeric SMILES

CC1=CC=CC=C1C(=O)N2CCN(CC2)C3=NN=C(C=C3)N4CC[NH+](CC4)C

InChI

InChI=1S/C21H28N6O/c1-17-5-3-4-6-18(17)21(28)27-15-13-26(14-16-27)20-8-7-19(22-23-20)25-11-9-24(2)10-12-25/h3-8H,9-16H2,1-2H3/p+1