[(2S)-6-methylheptan-2-yl]-[(1R)-1-(4-methyl-2-oxidanyl-phenyl)ethyl]azanium

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H29NO/c1-12(2)7-6-8-14(4)18-15(5)16-10-9-13(3)11-17(16)19/h9-12,14-15,18-19H,6-8H2,1-5H3/p+1/t14-,15+/m0/s1