[(2S)-4-methyl-1-oxidanyl-pentan-2-yl]-[(2R)-1-(4-methylphenyl)propan-2-yl]azanium

Systemtic Name: [(2S)-4-methyl-1-oxidanyl-pentan-2-yl]-[(2R)-1-(4-methylphenyl)propan-2-yl]azanium Openeye Name: [(1S)-1-(hydroxymethyl)-3-methyl-butyl]-[(1R)-1-methyl-2-(p-tolyl)ethyl]ammonium CAS Name: [(2S)-1-hydroxy-4-methylpentan-2-yl]-[(2R)-1-(4-methylphenyl)propan-2-yl]ammonium IUPAC Name: [(2S)-1-hydroxy-4-methylpentan-2-yl]-[(2R)-1-(4-methylphenyl)propan-2-yl]azanium Traditional Name: [(1S)-3-methyl-1-methylol-butyl]-[(1R)-1-methyl-2-(p-tolyl)ethyl]ammonium Formula: C16H28NO+ MolecularWeight: 250.39962

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CC(C)[NH2+]C(CC(C)C)CO

Isomeric SMILES

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

InChI

InChI=1S/C16H27NO/c1-12(2)9-16(11-18)17-14(4)10-15-7-5-13(3)6-8-15/h5-8,12,14,16-18H,9-11H2,1-4H3/p+1/t14-,16+/m1/s1