(3,5-dimethoxy-4-oxidanyl-phenyl)methyl-[(2S)-1-methoxypropan-2-yl]azanium

Systemtic Name: (3,5-dimethoxy-4-oxidanyl-phenyl)methyl-[(2S)-1-methoxypropan-2-yl]azanium Openeye Name: (4-hydroxy-3,5-dimethoxy-phenyl)methyl-[(1S)-2-methoxy-1-methyl-ethyl]ammonium CAS Name: (4-hydroxy-3,5-dimethoxyphenyl)methyl-[(2S)-1-methoxypropan-2-yl]ammonium IUPAC Name: (4-hydroxy-3,5-dimethoxyphenyl)methyl-[(2S)-1-methoxypropan-2-yl]azanium Traditional Name: (4-hydroxy-3,5-dimethoxy-benzyl)-[(1S)-2-methoxy-1-methyl-ethyl]ammonium Formula: C13H22NO4+ MolecularWeight: 256.31808

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H21NO4/c1-9(8-16-2)14-7-10-5-11(17-3)13(15)12(6-10)18-4/h5-6,9,14-15H,7-8H2,1-4H3/p+1/t9-/m0/s1