3-[4-(3,5-dinitrophenoxy)phenyl]-1-(4-methylpiperazin-4-ium-1-yl)propan-1-one

Systemtic Name: 3-[4-(3,5-dinitrophenoxy)phenyl]-1-(4-methylpiperazin-4-ium-1-yl)propan-1-one Openeye Name: 3-[4-(3,5-dinitrophenoxy)phenyl]-1-(4-methylpiperazin-4-ium-1-yl)propan-1-one CAS Name: 3-[4-(3,5-dinitrophenoxy)phenyl]-1-(4-methyl-1-piperazin-4-iumyl)-1-propanone IUPAC Name: 3-[4-(3,5-dinitrophenoxy)phenyl]-1-(4-methylpiperazin-4-ium-1-yl)propan-1-one Traditional Name: 3-[4-(3,5-dinitrophenoxy)phenyl]-1-(4-methylpiperazin-4-ium-1-yl)propan-1-one Formula: C20H23N4O6+ MolecularWeight: 415.41982

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C(=O)CCC2=CC=C(C=C2)OC3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C[NH+]1CCN(CC1)C(=O)CCC2=CC=C(C=C2)OC3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C20H22N4O6/c1-21-8-10-22(11-9-21)20(25)7-4-15-2-5-18(6-3-15)30-19-13-16(23(26)27)12-17(14-19)24(28)29/h2-3,5-6,12-14H,4,7-11H2,1H3/p+1