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

Systemtic Name: 3-[[3-bromanyl-4-[(4-chlorophenyl)methoxy]-5-ethoxy-phenyl]methylazaniumyl]propyl-dimethyl-azanium Openeye Name: 3-[[3-bromo-4-[(4-chlorophenyl)methoxy]-5-ethoxy-phenyl]methylammonio]propyl-dimethyl-ammonium CAS Name: 3-[[3-bromo-4-[(4-chlorophenyl)methoxy]-5-ethoxyphenyl]methylammonio]propyl-dimethylammonium IUPAC Name: 3-[[3-bromo-4-[(4-chlorophenyl)methoxy]-5-ethoxyphenyl]methylazaniumyl]propyl-dimethylazanium Traditional Name: 3-[[3-bromo-4-(4-chlorobenzyl)oxy-5-ethoxy-benzyl]ammonio]propyl-dimethyl-ammonium Formula: C21H30BrClN2O2+2 MolecularWeight: 457.8321

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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)Cl

Isomeric SMILES

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

InChI

InChI=1S/C21H28BrClN2O2/c1-4-26-20-13-17(14-24-10-5-11-25(2)3)12-19(22)21(20)27-15-16-6-8-18(23)9-7-16/h6-9,12-13,24H,4-5,10-11,14-15H2,1-3H3/p+2