[3-bromanyl-5-methoxy-4-(2-oxidanylidene-2-piperidin-1-yl-ethoxy)phenyl]methyl-(3-morpholin-4-ylpropyl)azanium

Systemtic Name: [3-bromanyl-5-methoxy-4-(2-oxidanylidene-2-piperidin-1-yl-ethoxy)phenyl]methyl-(3-morpholin-4-ylpropyl)azanium Openeye Name: [3-bromo-5-methoxy-4-[2-oxo-2-(1-piperidyl)ethoxy]phenyl]methyl-(3-morpholinopropyl)ammonium CAS Name: [3-bromo-5-methoxy-4-[2-oxo-2-(1-piperidinyl)ethoxy]phenyl]methyl-[3-(4-morpholinyl)propyl]ammonium IUPAC Name: [3-bromo-5-methoxy-4-(2-oxo-2-piperidin-1-ylethoxy)phenyl]methyl-(3-morpholin-4-ylpropyl)azanium Traditional Name: [3-bromo-4-(2-keto-2-piperidino-ethoxy)-5-methoxy-benzyl]-(3-morpholinopropyl)ammonium Formula: C22H35BrN3O4+ MolecularWeight: 485.435

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C[NH2+]CCCN2CCOCC2)Br)OCC(=O)N3CCCCC3

Isomeric SMILES

COC1=C(C(=CC(=C1)C[NH2+]CCCN2CCOCC2)Br)OCC(=O)N3CCCCC3

InChI

InChI=1S/C22H34BrN3O4/c1-28-20-15-18(16-24-6-5-7-25-10-12-29-13-11-25)14-19(23)22(20)30-17-21(27)26-8-3-2-4-9-26/h14-15,24H,2-13,16-17H2,1H3/p+1