2-[[5-bromanyl-2-[2-oxidanylidene-2-[(phenylmethyl)amino]ethoxy]phenyl]methylazaniumyl]ethyl-diethyl-azanium

Systemtic Name: 2-[[5-bromanyl-2-[2-oxidanylidene-2-[(phenylmethyl)amino]ethoxy]phenyl]methylazaniumyl]ethyl-diethyl-azanium Openeye Name: 2-[[2-[2-(benzylamino)-2-oxo-ethoxy]-5-bromo-phenyl]methylammonio]ethyl-diethyl-ammonium CAS Name: 2-[[5-bromo-2-[2-oxo-2-[(phenylmethyl)amino]ethoxy]phenyl]methylammonio]ethyl-diethylammonium IUPAC Name: 2-[[2-[2-(benzylamino)-2-oxoethoxy]-5-bromophenyl]methylazaniumyl]ethyl-diethylazanium Traditional Name: 2-[[2-[2-(benzylamino)-2-keto-ethoxy]-5-bromo-benzyl]ammonio]ethyl-diethyl-ammonium Formula: C22H32BrN3O2+2 MolecularWeight: 450.41238

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CC[NH2+]CC1=C(C=CC(=C1)Br)OCC(=O)NCC2=CC=CC=C2

Isomeric SMILES

CC[NH+](CC)CC[NH2+]CC1=C(C=CC(=C1)Br)OCC(=O)NCC2=CC=CC=C2

InChI

InChI=1S/C22H30BrN3O2/c1-3-26(4-2)13-12-24-16-19-14-20(23)10-11-21(19)28-17-22(27)25-15-18-8-6-5-7-9-18/h5-11,14,24H,3-4,12-13,15-17H2,1-2H3,(H,25,27)/p+2