trimethyl-[2-[(E)-2-methyl-1-oxidanyl-1-oxidanylidene-hept-2-en-4-yl]phenyl]azanium

Systemtic Name: trimethyl-[2-[(E)-2-methyl-1-oxidanyl-1-oxidanylidene-hept-2-en-4-yl]phenyl]azanium Openeye Name: [2-[(E)-4-hydroxy-3-methyl-4-oxo-1-propyl-but-2-enyl]phenyl]-trimethyl-ammonium CAS Name: [2-[(E)-1-hydroxy-2-methyl-1-oxohept-2-en-4-yl]phenyl]-trimethylammonium IUPAC Name: [2-[(E)-1-hydroxy-2-methyl-1-oxohept-2-en-4-yl]phenyl]-trimethylazanium Traditional Name: [2-[(E)-4-hydroxy-4-keto-3-methyl-1-propyl-but-2-enyl]phenyl]-trimethyl-ammonium Formula: C17H26NO2+ MolecularWeight: 276.39384

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCCC(/C=C(\C)/C(=O)O)C1=CC=CC=C1[N+](C)(C)C

InChI

InChI=1S/C17H25NO2/c1-6-9-14(12-13(2)17(19)20)15-10-7-8-11-16(15)18(3,4)5/h7-8,10-12,14H,6,9H2,1-5H3/p+1/b13-12+