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

Systemtic Name: [4-(2-azanyl-2-oxidanylidene-ethoxy)-3-chloranyl-5-ethoxy-phenyl]methyl-(2-morpholin-4-ium-4-ylethyl)azanium Openeye Name: [4-(2-amino-2-oxo-ethoxy)-3-chloro-5-ethoxy-phenyl]methyl-(2-morpholin-4-ium-4-ylethyl)ammonium CAS Name: [4-(2-amino-2-oxoethoxy)-3-chloro-5-ethoxyphenyl]methyl-[2-(4-morpholin-4-iumyl)ethyl]ammonium IUPAC Name: [4-(2-amino-2-oxoethoxy)-3-chloro-5-ethoxyphenyl]methyl-(2-morpholin-4-ium-4-ylethyl)azanium Traditional Name: [4-(2-amino-2-keto-ethoxy)-3-chloro-5-ethoxy-benzyl]-(2-morpholin-4-ium-4-ylethyl)ammonium Formula: C17H28ClN3O4+2 MolecularWeight: 373.87492

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)C[NH2+]CC[NH+]2CCOCC2)Cl)OCC(=O)N

Isomeric SMILES

CCOC1=C(C(=CC(=C1)C[NH2+]CC[NH+]2CCOCC2)Cl)OCC(=O)N

InChI

InChI=1S/C17H26ClN3O4/c1-2-24-15-10-13(9-14(18)17(15)25-12-16(19)22)11-20-3-4-21-5-7-23-8-6-21/h9-10,20H,2-8,11-12H2,1H3,(H2,19,22)/p+2