4-[(1R)-2-azaniumyl-1-(4-methylpiperazin-4-ium-1-yl)ethyl]-2-methoxy-6-nitro-phenolate

Systemtic Name: 4-[(1R)-2-azaniumyl-1-(4-methylpiperazin-4-ium-1-yl)ethyl]-2-methoxy-6-nitro-phenolate Openeye Name: 4-[(1R)-2-azaniumyl-1-(4-methylpiperazin-4-ium-1-yl)ethyl]-2-methoxy-6-nitro-phenolate CAS Name: 4-[(1R)-2-ammonio-1-(4-methyl-1-piperazin-4-iumyl)ethyl]-2-methoxy-6-nitrophenolate IUPAC Name: 4-[(1R)-2-azaniumyl-1-(4-methylpiperazin-4-ium-1-yl)ethyl]-2-methoxy-6-nitrophenolate Traditional Name: 4-[(1R)-2-ammonio-1-(4-methylpiperazin-4-ium-1-yl)ethyl]-2-methoxy-6-nitro-phenolate Formula: C14H23N4O4+ MolecularWeight: 311.35682

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C(C[NH3+])C2=CC(=C(C(=C2)OC)[O-])[N+](=O)[O-]

Isomeric SMILES

C[NH+]1CCN(CC1)[C@@H](C[NH3+])C2=CC(=C(C(=C2)OC)[O-])[N+](=O)[O-]

InChI

InChI=1S/C14H22N4O4/c1-16-3-5-17(6-4-16)12(9-15)10-7-11(18(20)21)14(19)13(8-10)22-2/h7-8,12,19H,3-6,9,15H2,1-2H3/p+1/t12-/m0/s1