N,N-dimethyl-4-[(2S,5R)-5-[(4-nitrophenoxy)methyl]-1,3-oxazolidin-3-ium-2-yl]aniline

Systemtic Name: N,N-dimethyl-4-[(2S,5R)-5-[(4-nitrophenoxy)methyl]-1,3-oxazolidin-3-ium-2-yl]aniline Openeye Name: N,N-dimethyl-4-[(2S,5R)-5-[(4-nitrophenoxy)methyl]oxazolidin-3-ium-2-yl]aniline CAS Name: N,N-dimethyl-4-[(2S,5R)-5-[(4-nitrophenoxy)methyl]-2-oxazolidin-3-iumyl]aniline IUPAC Name: N,N-dimethyl-4-[(2S,5R)-5-[(4-nitrophenoxy)methyl]-1,3-oxazolidin-3-ium-2-yl]aniline Traditional Name: dimethyl-[4-[(2S,5R)-5-[(4-nitrophenoxy)methyl]oxazolidin-3-ium-2-yl]phenyl]amine Formula: C18H22N3O4+ MolecularWeight: 344.38498

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=C(C=C1)C2[NH2+]CC(O2)COC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CN(C)C1=CC=C(C=C1)[C@H]2[NH2+]C[C@@H](O2)COC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H21N3O4/c1-20(2)14-5-3-13(4-6-14)18-19-11-17(25-18)12-24-16-9-7-15(8-10-16)21(22)23/h3-10,17-19H,11-12H2,1-2H3/p+1/t17-,18+/m1/s1