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

Systemtic Name: 3-[[3-bromanyl-5-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methylazaniumyl]propyl-diethyl-azanium Openeye Name: 3-[[3-bromo-5-methoxy-4-(p-tolylmethoxy)phenyl]methylammonio]propyl-diethyl-ammonium CAS Name: 3-[[3-bromo-5-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methylammonio]propyl-diethylammonium IUPAC Name: 3-[[3-bromo-5-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methylazaniumyl]propyl-diethylazanium Traditional Name: 3-[[3-bromo-5-methoxy-4-(4-methylbenzyl)oxy-benzyl]ammonio]propyl-diethyl-ammonium Formula: C23H35BrN2O2+2 MolecularWeight: 451.4402

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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)OC

Isomeric SMILES

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

InChI

InChI=1S/C23H33BrN2O2/c1-5-26(6-2)13-7-12-25-16-20-14-21(24)23(22(15-20)27-4)28-17-19-10-8-18(3)9-11-19/h8-11,14-15,25H,5-7,12-13,16-17H2,1-4H3/p+2