3-[[5-bromanyl-2-[(4-methylphenyl)methoxy]phenyl]methylazaniumyl]propyl-diethyl-azanium

Systemtic Name: 3-[[5-bromanyl-2-[(4-methylphenyl)methoxy]phenyl]methylazaniumyl]propyl-diethyl-azanium Openeye Name: 3-[[5-bromo-2-(p-tolylmethoxy)phenyl]methylammonio]propyl-diethyl-ammonium CAS Name: 3-[[5-bromo-2-[(4-methylphenyl)methoxy]phenyl]methylammonio]propyl-diethylammonium IUPAC Name: 3-[[5-bromo-2-[(4-methylphenyl)methoxy]phenyl]methylazaniumyl]propyl-diethylazanium Traditional Name: 3-[[5-bromo-2-(4-methylbenzyl)oxy-benzyl]ammonio]propyl-diethyl-ammonium Formula: C22H33BrN2O+2 MolecularWeight: 421.41422

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H31BrN2O/c1-4-25(5-2)14-6-13-24-16-20-15-21(23)11-12-22(20)26-17-19-9-7-18(3)8-10-19/h7-12,15,24H,4-6,13-14,16-17H2,1-3H3/p+2