(5-chloranyl-2-oxidanyl-phenyl)methyl-[(2S)-6-methylheptan-2-yl]azanium

Systemtic Name: (5-chloranyl-2-oxidanyl-phenyl)methyl-[(2S)-6-methylheptan-2-yl]azanium Openeye Name: (5-chloro-2-hydroxy-phenyl)methyl-[(1S)-1,5-dimethylhexyl]ammonium CAS Name: (5-chloro-2-hydroxyphenyl)methyl-[(2S)-6-methylheptan-2-yl]ammonium IUPAC Name: (5-chloro-2-hydroxyphenyl)methyl-[(2S)-6-methylheptan-2-yl]azanium Traditional Name: (5-chloro-2-hydroxy-benzyl)-[(1S)-1,5-dimethylhexyl]ammonium Formula: C15H25ClNO+ MolecularWeight: 270.8181

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H24ClNO/c1-11(2)5-4-6-12(3)17-10-13-9-14(16)7-8-15(13)18/h7-9,11-12,17-18H,4-6,10H2,1-3H3/p+1/t12-/m0/s1