1-[1-(phenylmethyl)pyrrolidin-1-ium-1-yl]-3-(4-phenylphenoxy)propan-2-ol

Systemtic Name: 1-[1-(phenylmethyl)pyrrolidin-1-ium-1-yl]-3-(4-phenylphenoxy)propan-2-ol Openeye Name: 1-(1-benzylpyrrolidin-1-ium-1-yl)-3-(4-phenylphenoxy)propan-2-ol CAS Name: 1-[1-(phenylmethyl)-1-pyrrolidin-1-iumyl]-3-(4-phenylphenoxy)-2-propanol IUPAC Name: 1-(1-benzylpyrrolidin-1-ium-1-yl)-3-(4-phenylphenoxy)propan-2-ol Traditional Name: 1-(1-benzylpyrrolidin-1-ium-1-yl)-3-(4-phenylphenoxy)propan-2-ol Formula: C26H30NO2+ MolecularWeight: 388.5219

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC[N+](C1)(CC2=CC=CC=C2)CC(COC3=CC=C(C=C3)C4=CC=CC=C4)O

Isomeric SMILES

C1CC[N+](C1)(CC2=CC=CC=C2)CC(COC3=CC=C(C=C3)C4=CC=CC=C4)O

InChI

InChI=1S/C26H30NO2/c28-25(20-27(17-7-8-18-27)19-22-9-3-1-4-10-22)21-29-26-15-13-24(14-16-26)23-11-5-2-6-12-23/h1-6,9-16,25,28H,7-8,17-21H2/q+1