[3-bromanyl-4-[(4-chlorophenyl)methoxy]phenyl]methyl-(3-butoxypropyl)azanium

Systemtic Name: [3-bromanyl-4-[(4-chlorophenyl)methoxy]phenyl]methyl-(3-butoxypropyl)azanium Openeye Name: [3-bromo-4-[(4-chlorophenyl)methoxy]phenyl]methyl-(3-butoxypropyl)ammonium CAS Name: [3-bromo-4-[(4-chlorophenyl)methoxy]phenyl]methyl-(3-butoxypropyl)ammonium IUPAC Name: [3-bromo-4-[(4-chlorophenyl)methoxy]phenyl]methyl-(3-butoxypropyl)azanium Traditional Name: [3-bromo-4-(4-chlorobenzyl)oxy-benzyl]-(3-butoxypropyl)ammonium Formula: C21H28BrClNO2+ MolecularWeight: 441.80952

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27BrClNO2/c1-2-3-12-25-13-4-11-24-15-18-7-10-21(20(22)14-18)26-16-17-5-8-19(23)9-6-17/h5-10,14,24H,2-4,11-13,15-16H2,1H3/p+1