(4-methoxy-3-nitro-phenyl)methyl-[(2S)-1-methoxypropan-2-yl]azanium

Systemtic Name: (4-methoxy-3-nitro-phenyl)methyl-[(2S)-1-methoxypropan-2-yl]azanium Openeye Name: [(1S)-2-methoxy-1-methyl-ethyl]-[(4-methoxy-3-nitro-phenyl)methyl]ammonium CAS Name: (4-methoxy-3-nitrophenyl)methyl-[(2S)-1-methoxypropan-2-yl]ammonium IUPAC Name: (4-methoxy-3-nitrophenyl)methyl-[(2S)-1-methoxypropan-2-yl]azanium Traditional Name: [(1S)-2-methoxy-1-methyl-ethyl]-(4-methoxy-3-nitro-benzyl)ammonium Formula: C12H19N2O4+ MolecularWeight: 255.29026

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Descriptors Computed from Structure

Canonical SMILES:

CC(COC)[NH2+]CC1=CC(=C(C=C1)OC)[N+](=O)[O-]

Isomeric SMILES

C[C@@H](COC)[NH2+]CC1=CC(=C(C=C1)OC)[N+](=O)[O-]

InChI

InChI=1S/C12H18N2O4/c1-9(8-17-2)13-7-10-4-5-12(18-3)11(6-10)14(15)16/h4-6,9,13H,7-8H2,1-3H3/p+1/t9-/m0/s1