[(2S,3S)-3-methyl-1-oxidanyl-pentan-2-yl]-[(2R)-1-(4-methylphenyl)propan-2-yl]azanium

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

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

Isomeric SMILES

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

InChI

InChI=1S/C16H27NO/c1-5-13(3)16(11-18)17-14(4)10-15-8-6-12(2)7-9-15/h6-9,13-14,16-18H,5,10-11H2,1-4H3/p+1/t13-,14+,16+/m0/s1