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

Systemtic Name: [4-(2-azanyl-2-oxidanylidene-ethoxy)-3-chloranyl-5-methoxy-phenyl]methyl-(4-morpholin-4-ium-4-ylphenyl)azanium Openeye Name: [4-(2-amino-2-oxo-ethoxy)-3-chloro-5-methoxy-phenyl]methyl-(4-morpholin-4-ium-4-ylphenyl)ammonium CAS Name: [4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxyphenyl]methyl-[4-(4-morpholin-4-iumyl)phenyl]ammonium IUPAC Name: [4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxyphenyl]methyl-(4-morpholin-4-ium-4-ylphenyl)azanium Traditional Name: [4-(2-amino-2-keto-ethoxy)-3-chloro-5-methoxy-benzyl]-(4-morpholin-4-ium-4-ylphenyl)ammonium Formula: C20H26ClN3O4+2 MolecularWeight: 407.89114

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C[NH2+]C2=CC=C(C=C2)[NH+]3CCOCC3)Cl)OCC(=O)N

Isomeric SMILES

COC1=C(C(=CC(=C1)C[NH2+]C2=CC=C(C=C2)[NH+]3CCOCC3)Cl)OCC(=O)N

InChI

InChI=1S/C20H24ClN3O4/c1-26-18-11-14(10-17(21)20(18)28-13-19(22)25)12-23-15-2-4-16(5-3-15)24-6-8-27-9-7-24/h2-5,10-11,23H,6-9,12-13H2,1H3,(H2,22,25)/p+2