3-[(3S)-3-ethyl-1-methyl-azepan-1-ium-3-yl]phenol

Systemtic Name: 3-[(3S)-3-ethyl-1-methyl-azepan-1-ium-3-yl]phenol Openeye Name: 3-[(3S)-3-ethyl-1-methyl-azepan-1-ium-3-yl]phenol CAS Name: 3-[(3S)-3-ethyl-1-methyl-3-azepan-1-iumyl]phenol IUPAC Name: 3-[(3S)-3-ethyl-1-methylazepan-1-ium-3-yl]phenol Traditional Name: 3-[(3S)-3-ethyl-1-methyl-azepan-1-ium-3-yl]phenol Formula: C15H24NO+ MolecularWeight: 234.35716

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC[C@]1(CCCC[NH+](C1)C)C2=CC(=CC=C2)O

InChI

InChI=1S/C15H23NO/c1-3-15(9-4-5-10-16(2)12-15)13-7-6-8-14(17)11-13/h6-8,11,17H,3-5,9-10,12H2,1-2H3/p+1/t15-/m1/s1