(5-chloranyl-2-oxidanyl-phenyl)methyl-[2-(dimethylazaniumyl)ethyl]-methyl-azanium

Systemtic Name: (5-chloranyl-2-oxidanyl-phenyl)methyl-[2-(dimethylazaniumyl)ethyl]-methyl-azanium Openeye Name: (5-chloro-2-hydroxy-phenyl)methyl-[2-(dimethylammonio)ethyl]-methyl-ammonium CAS Name: (5-chloro-2-hydroxyphenyl)methyl-[2-(dimethylammonio)ethyl]-methylammonium IUPAC Name: (5-chloro-2-hydroxyphenyl)methyl-[2-(dimethylazaniumyl)ethyl]-methylazanium Traditional Name: (5-chloro-2-hydroxy-benzyl)-[2-(dimethylammonio)ethyl]-methyl-ammonium Formula: C12H21ClN2O+2 MolecularWeight: 244.76094

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CC[NH+](C)CC1=C(C=CC(=C1)Cl)O

Isomeric SMILES

C[NH+](C)CC[NH+](C)CC1=C(C=CC(=C1)Cl)O

InChI

InChI=1S/C12H19ClN2O/c1-14(2)6-7-15(3)9-10-8-11(13)4-5-12(10)16/h4-5,8,16H,6-7,9H2,1-3H3/p+2