2-phenyl-1-(4-propoxyphenyl)-3-pyrrolidin-1-ium-1-yl-propan-1-ol

Systemtic Name: 2-phenyl-1-(4-propoxyphenyl)-3-pyrrolidin-1-ium-1-yl-propan-1-ol Openeye Name: 2-phenyl-1-(4-propoxyphenyl)-3-pyrrolidin-1-ium-1-yl-propan-1-ol CAS Name: 2-phenyl-1-(4-propoxyphenyl)-3-(1-pyrrolidin-1-iumyl)-1-propanol IUPAC Name: 2-phenyl-1-(4-propoxyphenyl)-3-pyrrolidin-1-ium-1-ylpropan-1-ol Traditional Name: 2-phenyl-1-(4-propoxyphenyl)-3-pyrrolidin-1-ium-1-yl-propan-1-ol Formula: C22H30NO2+ MolecularWeight: 340.4791

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)C(C(C[NH+]2CCCC2)C3=CC=CC=C3)O

Isomeric SMILES

CCCOC1=CC=C(C=C1)C(C(C[NH+]2CCCC2)C3=CC=CC=C3)O

InChI

InChI=1S/C22H29NO2/c1-2-16-25-20-12-10-19(11-13-20)22(24)21(17-23-14-6-7-15-23)18-8-4-3-5-9-18/h3-5,8-13,21-22,24H,2,6-7,14-17H2,1H3/p+1