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

Systemtic Name: [4-(2-azanyl-2-oxidanylidene-ethoxy)-3-chloranyl-5-methoxy-phenyl]methyl-(3-methoxypropyl)azanium Openeye Name: [4-(2-amino-2-oxo-ethoxy)-3-chloro-5-methoxy-phenyl]methyl-(3-methoxypropyl)ammonium CAS Name: [4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxyphenyl]methyl-(3-methoxypropyl)ammonium IUPAC Name: [4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxyphenyl]methyl-(3-methoxypropyl)azanium Traditional Name: [4-(2-amino-2-keto-ethoxy)-3-chloro-5-methoxy-benzyl]-(3-methoxypropyl)ammonium Formula: C14H22ClN2O4+ MolecularWeight: 317.78848

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H21ClN2O4/c1-19-5-3-4-17-8-10-6-11(15)14(12(7-10)20-2)21-9-13(16)18/h6-7,17H,3-5,8-9H2,1-2H3,(H2,16,18)/p+1