2,4-bis(chloranyl)-6-[[2-dimethylaminoethyl-(phenylmethyl)azaniumyl]methyl]phenolate

Systemtic Name: 2,4-bis(chloranyl)-6-[[2-dimethylaminoethyl-(phenylmethyl)azaniumyl]methyl]phenolate Openeye Name: 2-[[benzyl(2-dimethylaminoethyl)ammonio]methyl]-4,6-dichloro-phenolate CAS Name: 2,4-dichloro-6-[[2-dimethylaminoethyl-(phenylmethyl)ammonio]methyl]phenolate IUPAC Name: 2-[[benzyl(2-dimethylaminoethyl)azaniumyl]methyl]-4,6-dichlorophenolate Traditional Name: 2-[[benzyl(2-dimethylaminoethyl)ammonio]methyl]-4,6-dichloro-phenolate Formula: C18H22Cl2N2O MolecularWeight: 353.28608

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CC[NH+](CC1=CC=CC=C1)CC2=CC(=CC(=C2[O-])Cl)Cl

Isomeric SMILES

CN(C)CC[NH+](CC1=CC=CC=C1)CC2=CC(=CC(=C2[O-])Cl)Cl

InChI

InChI=1S/C18H22Cl2N2O/c1-21(2)8-9-22(12-14-6-4-3-5-7-14)13-15-10-16(19)11-17(20)18(15)23/h3-7,10-11,23H,8-9,12-13H2,1-2H3