2-(4-methylpiperidin-1-ium-1-yl)-1-[4-(4-phenylphthalazin-2-ium-1-yl)piperazin-1-yl]ethanone

Systemtic Name: 2-(4-methylpiperidin-1-ium-1-yl)-1-[4-(4-phenylphthalazin-2-ium-1-yl)piperazin-1-yl]ethanone Openeye Name: 2-(4-methylpiperidin-1-ium-1-yl)-1-[4-(4-phenylphthalazin-2-ium-1-yl)piperazin-1-yl]ethanone CAS Name: 2-(4-methyl-1-piperidin-1-iumyl)-1-[4-(4-phenyl-1-phthalazin-2-iumyl)-1-piperazinyl]ethanone IUPAC Name: 2-(4-methylpiperidin-1-ium-1-yl)-1-[4-(4-phenylphthalazin-2-ium-1-yl)piperazin-1-yl]ethanone Traditional Name: 2-(4-methylpiperidin-1-ium-1-yl)-1-[4-(4-phenylphthalazin-2-ium-1-yl)piperazino]ethanone Formula: C26H33N5O+2 MolecularWeight: 431.57312

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC[NH+](CC1)CC(=O)N2CCN(CC2)C3=[NH+]N=C(C4=CC=CC=C43)C5=CC=CC=C5

Isomeric SMILES

CC1CC[NH+](CC1)CC(=O)N2CCN(CC2)C3=[NH+]N=C(C4=CC=CC=C43)C5=CC=CC=C5

InChI

InChI=1S/C26H31N5O/c1-20-11-13-29(14-12-20)19-24(32)30-15-17-31(18-16-30)26-23-10-6-5-9-22(23)25(27-28-26)21-7-3-2-4-8-21/h2-10,20H,11-19H2,1H3/p+2