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

Systemtic Name: 1-[4-(4-phenylphthalazin-2-ium-1-yl)piperazin-1-yl]-2-pyrrolidin-1-ium-1-yl-ethanone Openeye Name: 1-[4-(4-phenylphthalazin-2-ium-1-yl)piperazin-1-yl]-2-pyrrolidin-1-ium-1-yl-ethanone CAS Name: 1-[4-(4-phenyl-1-phthalazin-2-iumyl)-1-piperazinyl]-2-(1-pyrrolidin-1-iumyl)ethanone IUPAC Name: 1-[4-(4-phenylphthalazin-2-ium-1-yl)piperazin-1-yl]-2-pyrrolidin-1-ium-1-ylethanone Traditional Name: 1-[4-(4-phenylphthalazin-2-ium-1-yl)piperazino]-2-pyrrolidin-1-ium-1-yl-ethanone Formula: C24H29N5O+2 MolecularWeight: 403.51996

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CC(=O)N2CCN(CC2)C3=[NH+]N=C(C4=CC=CC=C43)C5=CC=CC=C5

Isomeric SMILES

C1CC[NH+](C1)CC(=O)N2CCN(CC2)C3=[NH+]N=C(C4=CC=CC=C43)C5=CC=CC=C5

InChI

InChI=1S/C24H27N5O/c30-22(18-27-12-6-7-13-27)28-14-16-29(17-15-28)24-21-11-5-4-10-20(21)23(25-26-24)19-8-2-1-3-9-19/h1-5,8-11H,6-7,12-18H2/p+2