3-[(5-chloranyl-2-oxidanyl-phenyl)methylazaniumyl]propyl-dimethyl-azanium

Systemtic Name: 3-[(5-chloranyl-2-oxidanyl-phenyl)methylazaniumyl]propyl-dimethyl-azanium Openeye Name: 3-[(5-chloro-2-hydroxy-phenyl)methylammonio]propyl-dimethyl-ammonium CAS Name: 3-[(5-chloro-2-hydroxyphenyl)methylammonio]propyl-dimethylammonium IUPAC Name: 3-[(5-chloro-2-hydroxyphenyl)methylazaniumyl]propyl-dimethylazanium Traditional Name: 3-[(5-chloro-2-hydroxy-benzyl)ammonio]propyl-dimethyl-ammonium Formula: C12H21ClN2O+2 MolecularWeight: 244.76094

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCC[NH2+]CC1=C(C=CC(=C1)Cl)O

Isomeric SMILES

C[NH+](C)CCC[NH2+]CC1=C(C=CC(=C1)Cl)O

InChI

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