(2S)-1-methoxy-3-[4-(2-nitrophenyl)piperazin-1-ium-1-yl]propan-2-ol

Systemtic Name: (2S)-1-methoxy-3-[4-(2-nitrophenyl)piperazin-1-ium-1-yl]propan-2-ol Openeye Name: (2S)-1-methoxy-3-[4-(2-nitrophenyl)piperazin-1-ium-1-yl]propan-2-ol CAS Name: (2S)-1-methoxy-3-[4-(2-nitrophenyl)-1-piperazin-1-iumyl]-2-propanol IUPAC Name: (2S)-1-methoxy-3-[4-(2-nitrophenyl)piperazin-1-ium-1-yl]propan-2-ol Traditional Name: (2S)-1-methoxy-3-[4-(2-nitrophenyl)piperazin-1-ium-1-yl]propan-2-ol Formula: C14H22N3O4+ MolecularWeight: 296.34218

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H21N3O4/c1-21-11-12(18)10-15-6-8-16(9-7-15)13-4-2-3-5-14(13)17(19)20/h2-5,12,18H,6-11H2,1H3/p+1/t12-/m0/s1