(4,5-dimethoxy-2-nitro-phenyl)-(4-methylpiperazin-4-ium-1-yl)methanone

Systemtic Name: (4,5-dimethoxy-2-nitro-phenyl)-(4-methylpiperazin-4-ium-1-yl)methanone Openeye Name: (4,5-dimethoxy-2-nitro-phenyl)-(4-methylpiperazin-4-ium-1-yl)methanone CAS Name: (4,5-dimethoxy-2-nitrophenyl)-(4-methyl-1-piperazin-4-iumyl)methanone IUPAC Name: (4,5-dimethoxy-2-nitrophenyl)-(4-methylpiperazin-4-ium-1-yl)methanone Traditional Name: (4,5-dimethoxy-2-nitro-phenyl)-(4-methylpiperazin-4-ium-1-yl)methanone Formula: C14H20N3O5+ MolecularWeight: 310.3257

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H19N3O5/c1-15-4-6-16(7-5-15)14(18)10-8-12(21-2)13(22-3)9-11(10)17(19)20/h8-9H,4-7H2,1-3H3/p+1