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

Systemtic Name: 4-[(1S)-2-azaniumyl-1-(4-ethylpiperazin-4-ium-1-yl)ethyl]-2-methoxy-6-nitro-phenolate Openeye Name: 4-[(1S)-2-azaniumyl-1-(4-ethylpiperazin-4-ium-1-yl)ethyl]-2-methoxy-6-nitro-phenolate CAS Name: 4-[(1S)-2-ammonio-1-(4-ethyl-1-piperazin-4-iumyl)ethyl]-2-methoxy-6-nitrophenolate IUPAC Name: 4-[(1S)-2-azaniumyl-1-(4-ethylpiperazin-4-ium-1-yl)ethyl]-2-methoxy-6-nitrophenolate Traditional Name: 4-[(1S)-2-ammonio-1-(4-ethylpiperazin-4-ium-1-yl)ethyl]-2-methoxy-6-nitro-phenolate Formula: C15H25N4O4+ MolecularWeight: 325.3834

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H24N4O4/c1-3-17-4-6-18(7-5-17)13(10-16)11-8-12(19(21)22)15(20)14(9-11)23-2/h8-9,13,20H,3-7,10,16H2,1-2H3/p+1/t13-/m1/s1