2-acetamidoethyl-[[4-(2-azanyl-2-oxidanylidene-ethoxy)phenyl]methyl]azanium

Systemtic Name: 2-acetamidoethyl-[[4-(2-azanyl-2-oxidanylidene-ethoxy)phenyl]methyl]azanium Openeye Name: 2-acetamidoethyl-[[4-(2-amino-2-oxo-ethoxy)phenyl]methyl]ammonium CAS Name: 2-acetamidoethyl-[[4-(2-amino-2-oxoethoxy)phenyl]methyl]ammonium IUPAC Name: 2-acetamidoethyl-[[4-(2-amino-2-oxoethoxy)phenyl]methyl]azanium Traditional Name: 2-acetamidoethyl-[4-(2-amino-2-keto-ethoxy)benzyl]ammonium Formula: C13H20N3O3+ MolecularWeight: 266.3162

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H19N3O3/c1-10(17)16-7-6-15-8-11-2-4-12(5-3-11)19-9-13(14)18/h2-5,15H,6-9H2,1H3,(H2,14,18)(H,16,17)/p+1