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

Systemtic Name: 4-[(1S)-2-azaniumyl-1-(4-ethylpiperazin-4-ium-1-yl)ethyl]-2-nitro-phenolate Openeye Name: 4-[(1S)-2-azaniumyl-1-(4-ethylpiperazin-4-ium-1-yl)ethyl]-2-nitro-phenolate CAS Name: 4-[(1S)-2-ammonio-1-(4-ethyl-1-piperazin-4-iumyl)ethyl]-2-nitrophenolate IUPAC Name: 4-[(1S)-2-azaniumyl-1-(4-ethylpiperazin-4-ium-1-yl)ethyl]-2-nitrophenolate Traditional Name: 4-[(1S)-2-ammonio-1-(4-ethylpiperazin-4-ium-1-yl)ethyl]-2-nitro-phenolate Formula: C14H23N4O3+ MolecularWeight: 295.35742

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H22N4O3/c1-2-16-5-7-17(8-6-16)13(10-15)11-3-4-14(19)12(9-11)18(20)21/h3-4,9,13,19H,2,5-8,10,15H2,1H3/p+1/t13-/m1/s1