[5-bromanyl-2-[(4-methylphenyl)methoxy]phenyl]methyl-(3-morpholin-4-ylpropyl)azanium

Systemtic Name: [5-bromanyl-2-[(4-methylphenyl)methoxy]phenyl]methyl-(3-morpholin-4-ylpropyl)azanium Openeye Name: [5-bromo-2-(p-tolylmethoxy)phenyl]methyl-(3-morpholinopropyl)ammonium CAS Name: [5-bromo-2-[(4-methylphenyl)methoxy]phenyl]methyl-[3-(4-morpholinyl)propyl]ammonium IUPAC Name: [5-bromo-2-[(4-methylphenyl)methoxy]phenyl]methyl-(3-morpholin-4-ylpropyl)azanium Traditional Name: [5-bromo-2-(4-methylbenzyl)oxy-benzyl]-(3-morpholinopropyl)ammonium Formula: C22H30BrN2O2+ MolecularWeight: 434.3898

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)COC2=C(C=C(C=C2)Br)C[NH2+]CCCN3CCOCC3

Isomeric SMILES

CC1=CC=C(C=C1)COC2=C(C=C(C=C2)Br)C[NH2+]CCCN3CCOCC3

InChI

InChI=1S/C22H29BrN2O2/c1-18-3-5-19(6-4-18)17-27-22-8-7-21(23)15-20(22)16-24-9-2-10-25-11-13-26-14-12-25/h3-8,15,24H,2,9-14,16-17H2,1H3/p+1