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

Systemtic Name: 3-[[3-bromanyl-5-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methylazaniumyl]propyl-dimethyl-azanium Openeye Name: 3-[[3-bromo-5-methoxy-4-(p-tolylmethoxy)phenyl]methylammonio]propyl-dimethyl-ammonium CAS Name: 3-[[3-bromo-5-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methylammonio]propyl-dimethylammonium IUPAC Name: 3-[[3-bromo-5-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methylazaniumyl]propyl-dimethylazanium Traditional Name: 3-[[3-bromo-5-methoxy-4-(4-methylbenzyl)oxy-benzyl]ammonio]propyl-dimethyl-ammonium Formula: C21H31BrN2O2+2 MolecularWeight: 423.38704

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)COC2=C(C=C(C=C2Br)C[NH2+]CCC[NH+](C)C)OC

Isomeric SMILES

CC1=CC=C(C=C1)COC2=C(C=C(C=C2Br)C[NH2+]CCC[NH+](C)C)OC

InChI

InChI=1S/C21H29BrN2O2/c1-16-6-8-17(9-7-16)15-26-21-19(22)12-18(13-20(21)25-4)14-23-10-5-11-24(2)3/h6-9,12-13,23H,5,10-11,14-15H2,1-4H3/p+2