2-acetamidoethyl-[(3,5-dimethoxy-4-oxidanyl-phenyl)methyl]azanium

Systemtic Name: 2-acetamidoethyl-[(3,5-dimethoxy-4-oxidanyl-phenyl)methyl]azanium Openeye Name: 2-acetamidoethyl-[(4-hydroxy-3,5-dimethoxy-phenyl)methyl]ammonium CAS Name: 2-acetamidoethyl-[(4-hydroxy-3,5-dimethoxyphenyl)methyl]ammonium IUPAC Name: 2-acetamidoethyl-[(4-hydroxy-3,5-dimethoxyphenyl)methyl]azanium Traditional Name: 2-acetamidoethyl-(4-hydroxy-3,5-dimethoxy-benzyl)ammonium Formula: C13H21N2O4+ MolecularWeight: 269.31684

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H20N2O4/c1-9(16)15-5-4-14-8-10-6-11(18-2)13(17)12(7-10)19-3/h6-7,14,17H,4-5,8H2,1-3H3,(H,15,16)/p+1