[4-(2-azanyl-2-oxidanylidene-ethoxy)-3-chloranyl-5-methoxy-phenyl]methyl-(3-oxidanylpropyl)azanium

Systemtic Name: [4-(2-azanyl-2-oxidanylidene-ethoxy)-3-chloranyl-5-methoxy-phenyl]methyl-(3-oxidanylpropyl)azanium Openeye Name: [4-(2-amino-2-oxo-ethoxy)-3-chloro-5-methoxy-phenyl]methyl-(3-hydroxypropyl)ammonium CAS Name: [4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxyphenyl]methyl-(3-hydroxypropyl)ammonium IUPAC Name: [4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxyphenyl]methyl-(3-hydroxypropyl)azanium Traditional Name: [4-(2-amino-2-keto-ethoxy)-3-chloro-5-methoxy-benzyl]-(3-hydroxypropyl)ammonium Formula: C13H20ClN2O4+ MolecularWeight: 303.7619

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H19ClN2O4/c1-19-11-6-9(7-16-3-2-4-17)5-10(14)13(11)20-8-12(15)18/h5-6,16-17H,2-4,7-8H2,1H3,(H2,15,18)/p+1