[2-[3,4-bis(oxidanyl)phenyl]-3-methyl-2-oxidanyl-pentan-3-yl]-tert-butyl-dimethyl-azanium

Systemtic Name: [2-[3,4-bis(oxidanyl)phenyl]-3-methyl-2-oxidanyl-pentan-3-yl]-tert-butyl-dimethyl-azanium Openeye Name: tert-butyl-[2-(3,4-dihydroxyphenyl)-1-ethyl-2-hydroxy-1-methyl-propyl]-dimethyl-ammonium CAS Name: tert-butyl-[2-(3,4-dihydroxyphenyl)-2-hydroxy-3-methylpentan-3-yl]-dimethylammonium IUPAC Name: tert-butyl-[2-(3,4-dihydroxyphenyl)-2-hydroxy-3-methylpentan-3-yl]-dimethylazanium Traditional Name: tert-butyl-[2-(3,4-dihydroxyphenyl)-1-ethyl-2-hydroxy-1-methyl-propyl]-dimethyl-ammonium Formula: C18H32NO3+ MolecularWeight: 310.45158

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C(C)(C1=CC(=C(C=C1)O)O)O)[N+](C)(C)C(C)(C)C

Isomeric SMILES

CCC(C)(C(C)(C1=CC(=C(C=C1)O)O)O)[N+](C)(C)C(C)(C)C

InChI

InChI=1S/C18H31NO3/c1-9-17(5,19(7,8)16(2,3)4)18(6,22)13-10-11-14(20)15(21)12-13/h10-12,22H,9H2,1-8H3,(H-,20,21)/p+1