2-[2-bromanyl-4-(butylaminomethyl)-6-methoxy-phenoxy]-1-morpholin-4-yl-ethanone hydrochloride

Systemtic Name: 2-[2-bromanyl-4-(butylaminomethyl)-6-methoxy-phenoxy]-1-morpholin-4-yl-ethanone hydrochloride Openeye Name: 2-[2-bromo-4-(butylaminomethyl)-6-methoxy-phenoxy]-1-morpholino-ethanone hydrochloride CAS Name: 2-[2-bromo-4-(butylaminomethyl)-6-methoxyphenoxy]-1-(4-morpholinyl)ethanone hydrochloride IUPAC Name: 2-[2-bromo-4-(butylaminomethyl)-6-methoxyphenoxy]-1-morpholin-4-ylethanone hydrochloride Traditional Name: 2-[2-bromo-4-(butylaminomethyl)-6-methoxy-phenoxy]-1-morpholino-ethanone hydrochloride Formula: C18H28BrClN2O4 MolecularWeight: 451.78292

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNCC1=CC(=C(C(=C1)Br)OCC(=O)N2CCOCC2)OC.Cl

Isomeric SMILES

CCCCNCC1=CC(=C(C(=C1)Br)OCC(=O)N2CCOCC2)OC.Cl

InChI

InChI=1S/C18H27BrN2O4.ClH/c1-3-4-5-20-12-14-10-15(19)18(16(11-14)23-2)25-13-17(22)21-6-8-24-9-7-21;/h10-11,20H,3-9,12-13H2,1-2H3;1H