3-[[3-bromanyl-4-[(4-chlorophenyl)methoxy]phenyl]methylazaniumyl]propyl-dimethyl-azanium

Systemtic Name: 3-[[3-bromanyl-4-[(4-chlorophenyl)methoxy]phenyl]methylazaniumyl]propyl-dimethyl-azanium Openeye Name: 3-[[3-bromo-4-[(4-chlorophenyl)methoxy]phenyl]methylammonio]propyl-dimethyl-ammonium CAS Name: 3-[[3-bromo-4-[(4-chlorophenyl)methoxy]phenyl]methylammonio]propyl-dimethylammonium IUPAC Name: 3-[[3-bromo-4-[(4-chlorophenyl)methoxy]phenyl]methylazaniumyl]propyl-dimethylazanium Traditional Name: 3-[[3-bromo-4-(4-chlorobenzyl)oxy-benzyl]ammonio]propyl-dimethyl-ammonium Formula: C19H26BrClN2O+2 MolecularWeight: 413.77954

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H24BrClN2O/c1-23(2)11-3-10-22-13-16-6-9-19(18(20)12-16)24-14-15-4-7-17(21)8-5-15/h4-9,12,22H,3,10-11,13-14H2,1-2H3/p+2