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

Systemtic Name: 1-(1-methylazepan-1-ium-1-yl)-3-(4-phenylphenoxy)propan-2-ol Openeye Name: 1-(1-methylazepan-1-ium-1-yl)-3-(4-phenylphenoxy)propan-2-ol CAS Name: 1-(1-methyl-1-azepan-1-iumyl)-3-(4-phenylphenoxy)-2-propanol IUPAC Name: 1-(1-methylazepan-1-ium-1-yl)-3-(4-phenylphenoxy)propan-2-ol Traditional Name: 1-(1-methylazepan-1-ium-1-yl)-3-(4-phenylphenoxy)propan-2-ol Formula: C22H30NO2+ MolecularWeight: 340.4791

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H30NO2/c1-23(15-7-2-3-8-16-23)17-21(24)18-25-22-13-11-20(12-14-22)19-9-5-4-6-10-19/h4-6,9-14,21,24H,2-3,7-8,15-18H2,1H3/q+1