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

Systemtic Name: 3-(3-ethyl-1,1-dimethyl-azepan-1-ium-3-yl)phenol Openeye Name: 3-(3-ethyl-1,1-dimethyl-azepan-1-ium-3-yl)phenol CAS Name: 3-(3-ethyl-1,1-dimethyl-3-azepan-1-iumyl)phenol IUPAC Name: 3-(3-ethyl-1,1-dimethylazepan-1-ium-3-yl)phenol Traditional Name: 3-(3-ethyl-1,1-dimethyl-azepan-1-ium-3-yl)phenol Formula: C16H26NO+ MolecularWeight: 248.38374

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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/p+1