(3-ethanoyl-2,4,6-trimethyl-phenyl)methyl-[(2R)-6-methyl-6-oxidanyl-heptan-2-yl]azanium

Systemtic Name: (3-ethanoyl-2,4,6-trimethyl-phenyl)methyl-[(2R)-6-methyl-6-oxidanyl-heptan-2-yl]azanium Openeye Name: (3-acetyl-2,4,6-trimethyl-phenyl)methyl-[(1R)-5-hydroxy-1,5-dimethyl-hexyl]ammonium CAS Name: (3-acetyl-2,4,6-trimethylphenyl)methyl-[(2R)-6-hydroxy-6-methylheptan-2-yl]ammonium IUPAC Name: (3-acetyl-2,4,6-trimethylphenyl)methyl-[(2R)-6-hydroxy-6-methylheptan-2-yl]azanium Traditional Name: (3-acetyl-2,4,6-trimethyl-benzyl)-[(1R)-5-hydroxy-1,5-dimethyl-hexyl]ammonium Formula: C20H34NO2+ MolecularWeight: 320.48946

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1C(=O)C)C)C[NH2+]C(C)CCCC(C)(C)O)C

Isomeric SMILES

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

InChI

InChI=1S/C20H33NO2/c1-13-11-14(2)19(17(5)22)16(4)18(13)12-21-15(3)9-8-10-20(6,7)23/h11,15,21,23H,8-10,12H2,1-7H3/p+1/t15-/m1/s1