1-hexyl-1-[(4-nitrophenyl)methyl]-4-oxidanylidene-piperazine-1,4-diium-2-one

Systemtic Name: 1-hexyl-1-[(4-nitrophenyl)methyl]-4-oxidanylidene-piperazine-1,4-diium-2-one Openeye Name: 1-hexyl-1-[(4-nitrophenyl)methyl]-4-oxo-piperazine-1,4-diium-2-one CAS Name: 1-hexyl-1-[(4-nitrophenyl)methyl]-4-oxo-2-piperazine-1,4-diiumone IUPAC Name: 1-hexyl-1-[(4-nitrophenyl)methyl]-4-oxopiperazine-1,4-diium-2-one Traditional Name: 1-hexyl-4-keto-1-(4-nitrobenzyl)piperazine-1,4-diium-2-one Formula: C17H25N3O4+2 MolecularWeight: 335.3981

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC[N+]1(CC[N+](=O)CC1=O)CC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CCCCCC[N+]1(CC[N+](=O)CC1=O)CC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C17H25N3O4/c1-2-3-4-5-11-20(12-10-18(22)13-17(20)21)14-15-6-8-16(9-7-15)19(23)24/h6-9H,2-5,10-14H2,1H3/q+2