3-[[5-bromanyl-2-[(4-chlorophenyl)methoxy]phenyl]methylazaniumyl]propyl-dibutyl-azanium

Systemtic Name: 3-[[5-bromanyl-2-[(4-chlorophenyl)methoxy]phenyl]methylazaniumyl]propyl-dibutyl-azanium Openeye Name: 3-[[5-bromo-2-[(4-chlorophenyl)methoxy]phenyl]methylammonio]propyl-dibutyl-ammonium CAS Name: 3-[[5-bromo-2-[(4-chlorophenyl)methoxy]phenyl]methylammonio]propyl-dibutylammonium IUPAC Name: 3-[[5-bromo-2-[(4-chlorophenyl)methoxy]phenyl]methylazaniumyl]propyl-dibutylazanium Traditional Name: 3-[[5-bromo-2-(4-chlorobenzyl)oxy-benzyl]ammonio]propyl-dibutyl-ammonium Formula: C25H38BrClN2O+2 MolecularWeight: 497.93902

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H36BrClN2O/c1-3-5-15-29(16-6-4-2)17-7-14-28-19-22-18-23(26)10-13-25(22)30-20-21-8-11-24(27)12-9-21/h8-13,18,28H,3-7,14-17,19-20H2,1-2H3/p+2