(2S)-2-[2-(4-ethylpiperazine-1,4-diium-1-yl)ethyl]-7-nitro-4H-1,4-benzoxazin-3-one

Systemtic Name: (2S)-2-[2-(4-ethylpiperazine-1,4-diium-1-yl)ethyl]-7-nitro-4H-1,4-benzoxazin-3-one Openeye Name: (2S)-2-[2-(4-ethylpiperazine-1,4-diium-1-yl)ethyl]-7-nitro-4H-1,4-benzoxazin-3-one CAS Name: (2S)-2-[2-(4-ethyl-1-piperazine-1,4-diiumyl)ethyl]-7-nitro-4H-1,4-benzoxazin-3-one IUPAC Name: (2S)-2-[2-(4-ethylpiperazine-1,4-diium-1-yl)ethyl]-7-nitro-4H-1,4-benzoxazin-3-one Traditional Name: (2S)-2-[2-(4-ethylpiperazine-1,4-diium-1-yl)ethyl]-7-nitro-4H-1,4-benzoxazin-3-one Formula: C16H24N4O4+2 MolecularWeight: 336.38616

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CC[NH+](CC1)CCC2C(=O)NC3=C(O2)C=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC[NH+]1CC[NH+](CC1)CC[C@H]2C(=O)NC3=C(O2)C=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C16H22N4O4/c1-2-18-7-9-19(10-8-18)6-5-14-16(21)17-13-4-3-12(20(22)23)11-15(13)24-14/h3-4,11,14H,2,5-10H2,1H3,(H,17,21)/p+2/t14-/m0/s1