(2S)-1-(4-ethylpiperazin-4-ium-1-yl)-2-(4-methoxy-2-nitro-phenoxy)propan-1-one

Systemtic Name: (2S)-1-(4-ethylpiperazin-4-ium-1-yl)-2-(4-methoxy-2-nitro-phenoxy)propan-1-one Openeye Name: (2S)-1-(4-ethylpiperazin-4-ium-1-yl)-2-(4-methoxy-2-nitro-phenoxy)propan-1-one CAS Name: (2S)-1-(4-ethyl-1-piperazin-4-iumyl)-2-(4-methoxy-2-nitrophenoxy)-1-propanone IUPAC Name: (2S)-1-(4-ethylpiperazin-4-ium-1-yl)-2-(4-methoxy-2-nitrophenoxy)propan-1-one Traditional Name: (2S)-1-(4-ethylpiperazin-4-ium-1-yl)-2-(4-methoxy-2-nitro-phenoxy)propan-1-one Formula: C16H24N3O5+ MolecularWeight: 338.37886

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C(=O)C(C)OC2=C(C=C(C=C2)OC)[N+](=O)[O-]

Isomeric SMILES

CC[NH+]1CCN(CC1)C(=O)[C@H](C)OC2=C(C=C(C=C2)OC)[N+](=O)[O-]

InChI

InChI=1S/C16H23N3O5/c1-4-17-7-9-18(10-8-17)16(20)12(2)24-15-6-5-13(23-3)11-14(15)19(21)22/h5-6,11-12H,4,7-10H2,1-3H3/p+1/t12-/m0/s1