4-[(1S)-2-azaniumyl-1-(4-methylpiperazin-4-ium-1-yl)ethyl]-2-nitro-phenolate

Systemtic Name: 4-[(1S)-2-azaniumyl-1-(4-methylpiperazin-4-ium-1-yl)ethyl]-2-nitro-phenolate Openeye Name: 4-[(1S)-2-azaniumyl-1-(4-methylpiperazin-4-ium-1-yl)ethyl]-2-nitro-phenolate CAS Name: 4-[(1S)-2-ammonio-1-(4-methyl-1-piperazin-4-iumyl)ethyl]-2-nitrophenolate IUPAC Name: 4-[(1S)-2-azaniumyl-1-(4-methylpiperazin-4-ium-1-yl)ethyl]-2-nitrophenolate Traditional Name: 4-[(1S)-2-ammonio-1-(4-methylpiperazin-4-ium-1-yl)ethyl]-2-nitro-phenolate Formula: C13H21N4O3+ MolecularWeight: 281.33084

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H20N4O3/c1-15-4-6-16(7-5-15)12(9-14)10-2-3-13(18)11(8-10)17(19)20/h2-3,8,12,18H,4-7,9,14H2,1H3/p+1/t12-/m1/s1