1-[1-[4,5-bis(chloranyl)-2-nitro-phenyl]piperazin-1-ium-1-yl]hexan-1-one

Systemtic Name: 1-[1-[4,5-bis(chloranyl)-2-nitro-phenyl]piperazin-1-ium-1-yl]hexan-1-one Openeye Name: 1-[1-(4,5-dichloro-2-nitro-phenyl)piperazin-1-ium-1-yl]hexan-1-one CAS Name: 1-[1-(4,5-dichloro-2-nitrophenyl)-1-piperazin-1-iumyl]-1-hexanone IUPAC Name: 1-[1-(4,5-dichloro-2-nitrophenyl)piperazin-1-ium-1-yl]hexan-1-one Traditional Name: 1-[1-(4,5-dichloro-2-nitro-phenyl)piperazin-1-ium-1-yl]hexan-1-one Formula: C16H22Cl2N3O3+ MolecularWeight: 375.27018

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)[N+]1(CCNCC1)C2=CC(=C(C=C2[N+](=O)[O-])Cl)Cl

Isomeric SMILES

CCCCCC(=O)[N+]1(CCNCC1)C2=CC(=C(C=C2[N+](=O)[O-])Cl)Cl

InChI

InChI=1S/C16H22Cl2N3O3/c1-2-3-4-5-16(22)21(8-6-19-7-9-21)15-11-13(18)12(17)10-14(15)20(23)24/h10-11,19H,2-9H2,1H3/q+1