[3-bromanyl-5-methoxy-4-[2-oxidanylidene-2-(phenethylamino)ethoxy]phenyl]methyl-(3-morpholin-4-ium-4-ylpropyl)azanium

Systemtic Name: [3-bromanyl-5-methoxy-4-[2-oxidanylidene-2-(phenethylamino)ethoxy]phenyl]methyl-(3-morpholin-4-ium-4-ylpropyl)azanium Openeye Name: [3-bromo-5-methoxy-4-[2-oxo-2-(phenethylamino)ethoxy]phenyl]methyl-(3-morpholin-4-ium-4-ylpropyl)ammonium CAS Name: [3-bromo-5-methoxy-4-[2-oxo-2-(phenethylamino)ethoxy]phenyl]methyl-[3-(4-morpholin-4-iumyl)propyl]ammonium IUPAC Name: [3-bromo-5-methoxy-4-[2-oxo-2-(phenethylamino)ethoxy]phenyl]methyl-(3-morpholin-4-ium-4-ylpropyl)azanium Traditional Name: [3-bromo-4-[2-keto-2-(phenethylamino)ethoxy]-5-methoxy-benzyl]-(3-morpholin-4-ium-4-ylpropyl)ammonium Formula: C25H36BrN3O4+2 MolecularWeight: 522.47504

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C[NH2+]CCC[NH+]2CCOCC2)Br)OCC(=O)NCCC3=CC=CC=C3

Isomeric SMILES

COC1=C(C(=CC(=C1)C[NH2+]CCC[NH+]2CCOCC2)Br)OCC(=O)NCCC3=CC=CC=C3

InChI

InChI=1S/C25H34BrN3O4/c1-31-23-17-21(18-27-9-5-11-29-12-14-32-15-13-29)16-22(26)25(23)33-19-24(30)28-10-8-20-6-3-2-4-7-20/h2-4,6-7,16-17,27H,5,8-15,18-19H2,1H3,(H,28,30)/p+2