[4-(2-azanyl-2-oxidanylidene-ethoxy)-3-methoxy-phenyl]methyl-[(2R)-2-oxidanylpropyl]azanium

Systemtic Name: [4-(2-azanyl-2-oxidanylidene-ethoxy)-3-methoxy-phenyl]methyl-[(2R)-2-oxidanylpropyl]azanium Openeye Name: [4-(2-amino-2-oxo-ethoxy)-3-methoxy-phenyl]methyl-[(2R)-2-hydroxypropyl]ammonium CAS Name: [4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]methyl-[(2R)-2-hydroxypropyl]ammonium IUPAC Name: [4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]methyl-[(2R)-2-hydroxypropyl]azanium Traditional Name: [4-(2-amino-2-keto-ethoxy)-3-methoxy-benzyl]-[(2R)-2-hydroxypropyl]ammonium Formula: C13H21N2O4+ MolecularWeight: 269.31684

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H20N2O4/c1-9(16)6-15-7-10-3-4-11(12(5-10)18-2)19-8-13(14)17/h3-5,9,15-16H,6-8H2,1-2H3,(H2,14,17)/p+1/t9-/m1/s1