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

Systemtic Name: (2S)-2-[2-(4-methylpiperazine-1,4-diium-1-yl)ethyl]-7-nitro-4H-1,4-benzoxazin-3-one Openeye Name: (2S)-2-[2-(4-methylpiperazine-1,4-diium-1-yl)ethyl]-7-nitro-4H-1,4-benzoxazin-3-one CAS Name: (2S)-2-[2-(4-methyl-1-piperazine-1,4-diiumyl)ethyl]-7-nitro-4H-1,4-benzoxazin-3-one IUPAC Name: (2S)-2-[2-(4-methylpiperazine-1,4-diium-1-yl)ethyl]-7-nitro-4H-1,4-benzoxazin-3-one Traditional Name: (2S)-2-[2-(4-methylpiperazine-1,4-diium-1-yl)ethyl]-7-nitro-4H-1,4-benzoxazin-3-one Formula: C15H22N4O4+2 MolecularWeight: 322.35958

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H20N4O4/c1-17-6-8-18(9-7-17)5-4-13-15(20)16-12-3-2-11(19(21)22)10-14(12)23-13/h2-3,10,13H,4-9H2,1H3,(H,16,20)/p+2/t13-/m0/s1