2-[2-[4-(2-hydroxyethyl)piperazin-1-yl]-5-nitro-phenyl]-4-phenyl-8aH-phthalazin-2-ium-1-one

Systemtic Name: 2-[2-[4-(2-hydroxyethyl)piperazin-1-yl]-5-nitro-phenyl]-4-phenyl-8aH-phthalazin-2-ium-1-one Openeye Name: 2-[2-[4-(2-hydroxyethyl)piperazin-1-yl]-5-nitro-phenyl]-4-phenyl-8aH-phthalazin-2-ium-1-one CAS Name: 2-[2-[4-(2-hydroxyethyl)-1-piperazinyl]-5-nitrophenyl]-4-phenyl-8aH-phthalazin-2-ium-1-one IUPAC Name: 2-[2-[4-(2-hydroxyethyl)piperazin-1-yl]-5-nitrophenyl]-4-phenyl-8aH-phthalazin-2-ium-1-one Traditional Name: 2-[2-[4-(2-hydroxyethyl)piperazino]-5-nitro-phenyl]-4-phenyl-8aH-phthalazin-2-ium-1-one Formula: C26H26N5O4+ MolecularWeight: 472.51574

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCO)C2=C(C=C(C=C2)[N+](=O)[O-])[N+]3=NC(=C4C=CC=CC4C3=O)C5=CC=CC=C5

Isomeric SMILES

C1CN(CCN1CCO)C2=C(C=C(C=C2)[N+](=O)[O-])[N+]3=NC(=C4C=CC=CC4C3=O)C5=CC=CC=C5

InChI

InChI=1S/C26H26N5O4/c32-17-16-28-12-14-29(15-13-28)23-11-10-20(31(34)35)18-24(23)30-26(33)22-9-5-4-8-21(22)25(27-30)19-6-2-1-3-7-19/h1-11,18,22,32H,12-17H2/q+1