3-(dimethylazaniumyl)propyl-[(5-iodanyl-3-methyl-2-oxidanyl-phenyl)methyl]-methyl-azanium dichloride

Systemtic Name: 3-(dimethylazaniumyl)propyl-[(5-iodanyl-3-methyl-2-oxidanyl-phenyl)methyl]-methyl-azanium dichloride Openeye Name: 3-(dimethylammonio)propyl-[(2-hydroxy-5-iodo-3-methyl-phenyl)methyl]-methyl-ammonium dichloride CAS Name: 3-(dimethylammonio)propyl-[(2-hydroxy-5-iodo-3-methylphenyl)methyl]-methylammonium dichloride IUPAC Name: 3-(dimethylazaniumyl)propyl-[(2-hydroxy-5-iodo-3-methylphenyl)methyl]-methylazanium dichloride Traditional Name: 3-(dimethylammonio)propyl-(2-hydroxy-5-iodo-3-methyl-benzyl)-methyl-ammonium dichloride Formula: C14H25Cl2IN2O MolecularWeight: 435.17157

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1O)C[NH+](C)CCC[NH+](C)C)I.[Cl-].[Cl-]

Isomeric SMILES

CC1=CC(=CC(=C1O)C[NH+](C)CCC[NH+](C)C)I.[Cl-].[Cl-]

InChI

InChI=1S/C14H23IN2O.2ClH/c1-11-8-13(15)9-12(14(11)18)10-17(4)7-5-6-16(2)3;;/h8-9,18H,5-7,10H2,1-4H3;2*1H