(2S)-1-(4-ethoxyphenyl)-2-phenyl-3-pyrrolidin-1-ium-1-yl-propan-1-one

Systemtic Name: (2S)-1-(4-ethoxyphenyl)-2-phenyl-3-pyrrolidin-1-ium-1-yl-propan-1-one Openeye Name: (2S)-1-(4-ethoxyphenyl)-2-phenyl-3-pyrrolidin-1-ium-1-yl-propan-1-one CAS Name: (2S)-1-(4-ethoxyphenyl)-2-phenyl-3-(1-pyrrolidin-1-iumyl)-1-propanone IUPAC Name: (2S)-1-(4-ethoxyphenyl)-2-phenyl-3-pyrrolidin-1-ium-1-ylpropan-1-one Traditional Name: (2S)-2-phenyl-1-p-phenetyl-3-pyrrolidin-1-ium-1-yl-propan-1-one Formula: C21H26NO2+ MolecularWeight: 324.43664

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C(=O)C(C[NH+]2CCCC2)C3=CC=CC=C3

Isomeric SMILES

CCOC1=CC=C(C=C1)C(=O)[C@H](C[NH+]2CCCC2)C3=CC=CC=C3

InChI

InChI=1S/C21H25NO2/c1-2-24-19-12-10-18(11-13-19)21(23)20(16-22-14-6-7-15-22)17-8-4-3-5-9-17/h3-5,8-13,20H,2,6-7,14-16H2,1H3/p+1/t20-/m1/s1