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

Systemtic Name: [5-bromanyl-2-[(4-methylphenyl)methoxy]phenyl]methyl-(3-butoxypropyl)azanium Openeye Name: [5-bromo-2-(p-tolylmethoxy)phenyl]methyl-(3-butoxypropyl)ammonium CAS Name: [5-bromo-2-[(4-methylphenyl)methoxy]phenyl]methyl-(3-butoxypropyl)ammonium IUPAC Name: [5-bromo-2-[(4-methylphenyl)methoxy]phenyl]methyl-(3-butoxypropyl)azanium Traditional Name: [5-bromo-2-(4-methylbenzyl)oxy-benzyl]-(3-butoxypropyl)ammonium Formula: C22H31BrNO2+ MolecularWeight: 421.39104

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOCCC[NH2+]CC1=C(C=CC(=C1)Br)OCC2=CC=C(C=C2)C

Isomeric SMILES

CCCCOCCC[NH2+]CC1=C(C=CC(=C1)Br)OCC2=CC=C(C=C2)C

InChI

InChI=1S/C22H30BrNO2/c1-3-4-13-25-14-5-12-24-16-20-15-21(23)10-11-22(20)26-17-19-8-6-18(2)7-9-19/h6-11,15,24H,3-5,12-14,16-17H2,1-2H3/p+1