1-[4-[6-[(6-methylpyridin-1-ium-2-yl)amino]pyridazin-3-yl]piperazin-1-yl]-3-phenyl-propan-1-one

Systemtic Name: 1-[4-[6-[(6-methylpyridin-1-ium-2-yl)amino]pyridazin-3-yl]piperazin-1-yl]-3-phenyl-propan-1-one Openeye Name: 1-[4-[6-[(6-methylpyridin-1-ium-2-yl)amino]pyridazin-3-yl]piperazin-1-yl]-3-phenyl-propan-1-one CAS Name: 1-[4-[6-[(6-methyl-2-pyridin-1-iumyl)amino]-3-pyridazinyl]-1-piperazinyl]-3-phenyl-1-propanone IUPAC Name: 1-[4-[6-[(6-methylpyridin-1-ium-2-yl)amino]pyridazin-3-yl]piperazin-1-yl]-3-phenylpropan-1-one Traditional Name: 1-[4-[6-[(6-methylpyridin-1-ium-2-yl)amino]pyridazin-3-yl]piperazino]-3-phenyl-propan-1-one Formula: C23H27N6O+ MolecularWeight: 403.50008

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[NH+]C(=CC=C1)NC2=NN=C(C=C2)N3CCN(CC3)C(=O)CCC4=CC=CC=C4

Isomeric SMILES

CC1=[NH+]C(=CC=C1)NC2=NN=C(C=C2)N3CCN(CC3)C(=O)CCC4=CC=CC=C4

InChI

InChI=1S/C23H26N6O/c1-18-6-5-9-20(24-18)25-21-11-12-22(27-26-21)28-14-16-29(17-15-28)23(30)13-10-19-7-3-2-4-8-19/h2-9,11-12H,10,13-17H2,1H3,(H,24,25,26)/p+1