3-[[3-bromanyl-5-ethoxy-4-[(4-methylphenyl)methoxy]phenyl]methylazaniumyl]propyl-dimethyl-azanium

Systemtic Name: 3-[[3-bromanyl-5-ethoxy-4-[(4-methylphenyl)methoxy]phenyl]methylazaniumyl]propyl-dimethyl-azanium Openeye Name: 3-[[3-bromo-5-ethoxy-4-(p-tolylmethoxy)phenyl]methylammonio]propyl-dimethyl-ammonium CAS Name: 3-[[3-bromo-5-ethoxy-4-[(4-methylphenyl)methoxy]phenyl]methylammonio]propyl-dimethylammonium IUPAC Name: 3-[[3-bromo-5-ethoxy-4-[(4-methylphenyl)methoxy]phenyl]methylazaniumyl]propyl-dimethylazanium Traditional Name: 3-[[3-bromo-5-ethoxy-4-(4-methylbenzyl)oxy-benzyl]ammonio]propyl-dimethyl-ammonium Formula: C22H33BrN2O2+2 MolecularWeight: 437.41362

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)C[NH2+]CCC[NH+](C)C)Br)OCC2=CC=C(C=C2)C

Isomeric SMILES

CCOC1=C(C(=CC(=C1)C[NH2+]CCC[NH+](C)C)Br)OCC2=CC=C(C=C2)C

InChI

InChI=1S/C22H31BrN2O2/c1-5-26-21-14-19(15-24-11-6-12-25(3)4)13-20(23)22(21)27-16-18-9-7-17(2)8-10-18/h7-10,13-14,24H,5-6,11-12,15-16H2,1-4H3/p+2