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

Systemtic Name: 1-[4-(4-phenylphthalazin-2-ium-1-yl)piperazin-1-yl]-2-piperidin-1-ium-1-yl-ethanone Openeye Name: 1-[4-(4-phenylphthalazin-2-ium-1-yl)piperazin-1-yl]-2-piperidin-1-ium-1-yl-ethanone CAS Name: 1-[4-(4-phenyl-1-phthalazin-2-iumyl)-1-piperazinyl]-2-(1-piperidin-1-iumyl)ethanone IUPAC Name: 1-[4-(4-phenylphthalazin-2-ium-1-yl)piperazin-1-yl]-2-piperidin-1-ium-1-ylethanone Traditional Name: 1-[4-(4-phenylphthalazin-2-ium-1-yl)piperazino]-2-piperidin-1-ium-1-yl-ethanone Formula: C25H31N5O+2 MolecularWeight: 417.54654

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CC(=O)N2CCN(CC2)C3=[NH+]N=C(C4=CC=CC=C43)C5=CC=CC=C5

Isomeric SMILES

C1CC[NH+](CC1)CC(=O)N2CCN(CC2)C3=[NH+]N=C(C4=CC=CC=C43)C5=CC=CC=C5

InChI

InChI=1S/C25H29N5O/c31-23(19-28-13-7-2-8-14-28)29-15-17-30(18-16-29)25-22-12-6-5-11-21(22)24(26-27-25)20-9-3-1-4-10-20/h1,3-6,9-12H,2,7-8,13-19H2/p+2