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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C[NH2+]CCCO)OCC(=O)N

Isomeric SMILES

COC1=C(C=CC(=C1)C[NH2+]CCCO)OCC(=O)N

InChI

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