(3,5-dimethyl-4-oxidanyl-phenyl)methyl-[(2S)-6-methylheptan-2-yl]azanium

Systemtic Name: (3,5-dimethyl-4-oxidanyl-phenyl)methyl-[(2S)-6-methylheptan-2-yl]azanium Openeye Name: [(1S)-1,5-dimethylhexyl]-[(4-hydroxy-3,5-dimethyl-phenyl)methyl]ammonium CAS Name: (4-hydroxy-3,5-dimethylphenyl)methyl-[(2S)-6-methylheptan-2-yl]ammonium IUPAC Name: (4-hydroxy-3,5-dimethylphenyl)methyl-[(2S)-6-methylheptan-2-yl]azanium Traditional Name: [(1S)-1,5-dimethylhexyl]-(4-hydroxy-3,5-dimethyl-benzyl)ammonium Formula: C17H30NO+ MolecularWeight: 264.4262

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1O)C)C[NH2+]C(C)CCCC(C)C

Isomeric SMILES

CC1=CC(=CC(=C1O)C)C[NH2+][C@@H](C)CCCC(C)C

InChI

InChI=1S/C17H29NO/c1-12(2)7-6-8-15(5)18-11-16-9-13(3)17(19)14(4)10-16/h9-10,12,15,18-19H,6-8,11H2,1-5H3/p+1/t15-/m0/s1