[4-(2-azanyl-2-oxidanylidene-ethoxy)-3-methoxy-phenyl]methyl-(2-morpholin-4-ium-4-ylethyl)azanium dichloride

Systemtic Name: [4-(2-azanyl-2-oxidanylidene-ethoxy)-3-methoxy-phenyl]methyl-(2-morpholin-4-ium-4-ylethyl)azanium dichloride Openeye Name: [4-(2-amino-2-oxo-ethoxy)-3-methoxy-phenyl]methyl-(2-morpholin-4-ium-4-ylethyl)ammonium dichloride CAS Name: [4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]methyl-[2-(4-morpholin-4-iumyl)ethyl]ammonium dichloride IUPAC Name: [4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]methyl-(2-morpholin-4-ium-4-ylethyl)azanium dichloride Traditional Name: [4-(2-amino-2-keto-ethoxy)-3-methoxy-benzyl]-(2-morpholin-4-ium-4-ylethyl)ammonium dichloride Formula: C16H27Cl2N3O4 MolecularWeight: 396.30928

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C[NH2+]CC[NH+]2CCOCC2)OCC(=O)N.[Cl-].[Cl-]

Isomeric SMILES

COC1=C(C=CC(=C1)C[NH2+]CC[NH+]2CCOCC2)OCC(=O)N.[Cl-].[Cl-]

InChI

InChI=1S/C16H25N3O4.2ClH/c1-21-15-10-13(2-3-14(15)23-12-16(17)20)11-18-4-5-19-6-8-22-9-7-19;;/h2-3,10,18H,4-9,11-12H2,1H3,(H2,17,20);2*1H