3-methylbutyl-[(1R)-1-(4-methyl-2-oxidanyl-phenyl)ethyl]azanium

Systemtic Name: 3-methylbutyl-[(1R)-1-(4-methyl-2-oxidanyl-phenyl)ethyl]azanium Openeye Name: [(1R)-1-(2-hydroxy-4-methyl-phenyl)ethyl]-isopentyl-ammonium CAS Name: [(1R)-1-(2-hydroxy-4-methylphenyl)ethyl]-(3-methylbutyl)ammonium IUPAC Name: [(1R)-1-(2-hydroxy-4-methylphenyl)ethyl]-(3-methylbutyl)azanium Traditional Name: [(1R)-1-(2-hydroxy-4-methyl-phenyl)ethyl]-isoamyl-ammonium Formula: C14H24NO+ MolecularWeight: 222.34646

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H23NO/c1-10(2)7-8-15-12(4)13-6-5-11(3)9-14(13)16/h5-6,9-10,12,15-16H,7-8H2,1-4H3/p+1/t12-/m1/s1