3-[(3R)-3-phenylpyrrolidin-1-ium-1-yl]-1-(3,4,5-trimethoxyphenyl)propan-1-one

Systemtic Name: 3-[(3R)-3-phenylpyrrolidin-1-ium-1-yl]-1-(3,4,5-trimethoxyphenyl)propan-1-one Openeye Name: 3-[(3R)-3-phenylpyrrolidin-1-ium-1-yl]-1-(3,4,5-trimethoxyphenyl)propan-1-one CAS Name: 3-[(3R)-3-phenyl-1-pyrrolidin-1-iumyl]-1-(3,4,5-trimethoxyphenyl)-1-propanone IUPAC Name: 3-[(3R)-3-phenylpyrrolidin-1-ium-1-yl]-1-(3,4,5-trimethoxyphenyl)propan-1-one Traditional Name: 3-[(3R)-3-phenylpyrrolidin-1-ium-1-yl]-1-(3,4,5-trimethoxyphenyl)propan-1-one Formula: C22H28NO4+ MolecularWeight: 370.46202

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C(=O)CC[NH+]2CCC(C2)C3=CC=CC=C3

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C(=O)CC[NH+]2CC[C@@H](C2)C3=CC=CC=C3

InChI

InChI=1S/C22H27NO4/c1-25-20-13-18(14-21(26-2)22(20)27-3)19(24)10-12-23-11-9-17(15-23)16-7-5-4-6-8-16/h4-8,13-14,17H,9-12,15H2,1-3H3/p+1/t17-/m0/s1