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

Systemtic Name: 1-methoxy-3-[4-(2-nitrophenyl)piperazin-1-ium-1-yl]propan-2-ol chloride Openeye Name: 1-methoxy-3-[4-(2-nitrophenyl)piperazin-1-ium-1-yl]propan-2-ol chloride CAS Name: 1-methoxy-3-[4-(2-nitrophenyl)-1-piperazin-1-iumyl]-2-propanol chloride IUPAC Name: 1-methoxy-3-[4-(2-nitrophenyl)piperazin-1-ium-1-yl]propan-2-ol chloride Traditional Name: 1-methoxy-3-[4-(2-nitrophenyl)piperazin-1-ium-1-yl]propan-2-ol chloride Formula: C14H22ClN3O4 MolecularWeight: 331.79518

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H21N3O4.ClH/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;1H