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

Systemtic Name: 2-[[butyl-(phenylmethyl)azaniumyl]methyl]-4,6-bis(chloranyl)phenolate Openeye Name: 2-[[benzyl(butyl)ammonio]methyl]-4,6-dichloro-phenolate CAS Name: 2-[[butyl-(phenylmethyl)ammonio]methyl]-4,6-dichlorophenolate IUPAC Name: 2-[[benzyl(butyl)azaniumyl]methyl]-4,6-dichlorophenolate Traditional Name: 2-[[benzyl(butyl)ammonio]methyl]-4,6-dichloro-phenolate Formula: C18H21Cl2NO MolecularWeight: 338.27144

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21Cl2NO/c1-2-3-9-21(12-14-7-5-4-6-8-14)13-15-10-16(19)11-17(20)18(15)22/h4-8,10-11,22H,2-3,9,12-13H2,1H3