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

Systemtic Name: 3-[[3-bromanyl-5-ethoxy-4-[(4-methylphenyl)methoxy]phenyl]methylazaniumyl]propyl-diethyl-azanium Openeye Name: 3-[[3-bromo-5-ethoxy-4-(p-tolylmethoxy)phenyl]methylammonio]propyl-diethyl-ammonium CAS Name: 3-[[3-bromo-5-ethoxy-4-[(4-methylphenyl)methoxy]phenyl]methylammonio]propyl-diethylammonium IUPAC Name: 3-[[3-bromo-5-ethoxy-4-[(4-methylphenyl)methoxy]phenyl]methylazaniumyl]propyl-diethylazanium Traditional Name: 3-[[3-bromo-5-ethoxy-4-(4-methylbenzyl)oxy-benzyl]ammonio]propyl-diethyl-ammonium Formula: C24H37BrN2O2+2 MolecularWeight: 465.46678

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H35BrN2O2/c1-5-27(6-2)14-8-13-26-17-21-15-22(25)24(23(16-21)28-7-3)29-18-20-11-9-19(4)10-12-20/h9-12,15-16,26H,5-8,13-14,17-18H2,1-4H3/p+2