(2S)-2-[2-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]ethyl]-7-nitro-4H-1,4-benzoxazin-3-one

Systemtic Name: (2S)-2-[2-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]ethyl]-7-nitro-4H-1,4-benzoxazin-3-one Openeye Name: (2S)-2-[2-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]ethyl]-7-nitro-4H-1,4-benzoxazin-3-one CAS Name: (2S)-2-[2-[4-(4-methoxyphenyl)-1-piperazin-1-iumyl]ethyl]-7-nitro-4H-1,4-benzoxazin-3-one IUPAC Name: (2S)-2-[2-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]ethyl]-7-nitro-4H-1,4-benzoxazin-3-one Traditional Name: (2S)-2-[2-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]ethyl]-7-nitro-4H-1,4-benzoxazin-3-one Formula: C21H25N4O5+ MolecularWeight: 413.447

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2CC[NH+](CC2)CCC3C(=O)NC4=C(O3)C=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

COC1=CC=C(C=C1)N2CC[NH+](CC2)CC[C@H]3C(=O)NC4=C(O3)C=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H24N4O5/c1-29-17-5-2-15(3-6-17)24-12-10-23(11-13-24)9-8-19-21(26)22-18-7-4-16(25(27)28)14-20(18)30-19/h2-7,14,19H,8-13H2,1H3,(H,22,26)/p+1/t19-/m0/s1