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

Systemtic Name: 3-(dimethylazaniumyl)propyl-[(5-iodanyl-3-methyl-2-oxidanyl-phenyl)methyl]-methyl-azanium Openeye Name: 3-(dimethylammonio)propyl-[(2-hydroxy-5-iodo-3-methyl-phenyl)methyl]-methyl-ammonium CAS Name: 3-(dimethylammonio)propyl-[(2-hydroxy-5-iodo-3-methylphenyl)methyl]-methylammonium IUPAC Name: 3-(dimethylazaniumyl)propyl-[(2-hydroxy-5-iodo-3-methylphenyl)methyl]-methylazanium Traditional Name: 3-(dimethylammonio)propyl-(2-hydroxy-5-iodo-3-methyl-benzyl)-methyl-ammonium Formula: C14H25IN2O+2 MolecularWeight: 364.26557

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H23IN2O/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/p+2