(5-chloranyl-2-oxidanyl-phenyl)methyl-(3-methylbutyl)azanium

Systemtic Name: (5-chloranyl-2-oxidanyl-phenyl)methyl-(3-methylbutyl)azanium Openeye Name: (5-chloro-2-hydroxy-phenyl)methyl-isopentyl-ammonium CAS Name: (5-chloro-2-hydroxyphenyl)methyl-(3-methylbutyl)ammonium IUPAC Name: (5-chloro-2-hydroxyphenyl)methyl-(3-methylbutyl)azanium Traditional Name: (5-chloro-2-hydroxy-benzyl)-isoamyl-ammonium Formula: C12H19ClNO+ MolecularWeight: 228.73836

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H18ClNO/c1-9(2)5-6-14-8-10-7-11(13)3-4-12(10)15/h3-4,7,9,14-15H,5-6,8H2,1-2H3/p+1