1-(1-ethylazepan-1-ium-1-yl)-3-(4-phenylphenoxy)propan-2-ol

Systemtic Name: 1-(1-ethylazepan-1-ium-1-yl)-3-(4-phenylphenoxy)propan-2-ol Openeye Name: 1-(1-ethylazepan-1-ium-1-yl)-3-(4-phenylphenoxy)propan-2-ol CAS Name: 1-(1-ethyl-1-azepan-1-iumyl)-3-(4-phenylphenoxy)-2-propanol IUPAC Name: 1-(1-ethylazepan-1-ium-1-yl)-3-(4-phenylphenoxy)propan-2-ol Traditional Name: 1-(1-ethylazepan-1-ium-1-yl)-3-(4-phenylphenoxy)propan-2-ol Formula: C23H32NO2+ MolecularWeight: 354.50568

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1(CCCCCC1)CC(COC2=CC=C(C=C2)C3=CC=CC=C3)O

Isomeric SMILES

CC[N+]1(CCCCCC1)CC(COC2=CC=C(C=C2)C3=CC=CC=C3)O

InChI

InChI=1S/C23H32NO2/c1-2-24(16-8-3-4-9-17-24)18-22(25)19-26-23-14-12-21(13-15-23)20-10-6-5-7-11-20/h5-7,10-15,22,25H,2-4,8-9,16-19H2,1H3/q+1