3-(3-ethyl-1,1-dimethyl-azepan-1-ium-3-yl)phenolate

Systemtic Name: 3-(3-ethyl-1,1-dimethyl-azepan-1-ium-3-yl)phenolate Openeye Name: 3-(3-ethyl-1,1-dimethyl-azepan-1-ium-3-yl)phenolate CAS Name: 3-(3-ethyl-1,1-dimethyl-3-azepan-1-iumyl)phenolate IUPAC Name: 3-(3-ethyl-1,1-dimethylazepan-1-ium-3-yl)phenolate Traditional Name: 3-(3-ethyl-1,1-dimethyl-azepan-1-ium-3-yl)phenolate Formula: C16H25NO MolecularWeight: 247.3758

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Descriptors Computed from Structure

Canonical SMILES:

CCC1(CCCC[N+](C1)(C)C)C2=CC(=CC=C2)[O-]

Isomeric SMILES

CCC1(CCCC[N+](C1)(C)C)C2=CC(=CC=C2)[O-]

InChI

InChI=1S/C16H25NO/c1-4-16(14-8-7-9-15(18)12-14)10-5-6-11-17(2,3)13-16/h7-9,12H,4-6,10-11,13H2,1-3H3