[3-(hydroxymethyl)-2,4,6-trimethyl-phenyl]methyl-[(2S)-3-methylbutan-2-yl]azanium

Systemtic Name: [3-(hydroxymethyl)-2,4,6-trimethyl-phenyl]methyl-[(2S)-3-methylbutan-2-yl]azanium Openeye Name: [(1S)-1,2-dimethylpropyl]-[[3-(hydroxymethyl)-2,4,6-trimethyl-phenyl]methyl]ammonium CAS Name: [3-(hydroxymethyl)-2,4,6-trimethylphenyl]methyl-[(2S)-3-methylbutan-2-yl]ammonium IUPAC Name: [3-(hydroxymethyl)-2,4,6-trimethylphenyl]methyl-[(2S)-3-methylbutan-2-yl]azanium Traditional Name: [(1S)-1,2-dimethylpropyl]-(2,4,6-trimethyl-3-methylol-benzyl)ammonium Formula: C16H28NO+ MolecularWeight: 250.39962

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1C[NH2+]C(C)C(C)C)C)CO)C

Isomeric SMILES

CC1=CC(=C(C(=C1C[NH2+][C@@H](C)C(C)C)C)CO)C

InChI

InChI=1S/C16H27NO/c1-10(2)14(6)17-8-15-11(3)7-12(4)16(9-18)13(15)5/h7,10,14,17-18H,8-9H2,1-6H3/p+1/t14-/m0/s1