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

Systemtic Name: [3-bromanyl-5-ethoxy-4-[(4-methylphenyl)methoxy]phenyl]methyl-(3-butoxypropyl)azanium Openeye Name: [3-bromo-5-ethoxy-4-(p-tolylmethoxy)phenyl]methyl-(3-butoxypropyl)ammonium CAS Name: [3-bromo-5-ethoxy-4-[(4-methylphenyl)methoxy]phenyl]methyl-(3-butoxypropyl)ammonium IUPAC Name: [3-bromo-5-ethoxy-4-[(4-methylphenyl)methoxy]phenyl]methyl-(3-butoxypropyl)azanium Traditional Name: [3-bromo-5-ethoxy-4-(4-methylbenzyl)oxy-benzyl]-(3-butoxypropyl)ammonium Formula: C24H35BrNO3+ MolecularWeight: 465.4436

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H34BrNO3/c1-4-6-13-27-14-7-12-26-17-21-15-22(25)24(23(16-21)28-5-2)29-18-20-10-8-19(3)9-11-20/h8-11,15-16,26H,4-7,12-14,17-18H2,1-3H3/p+1