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

Systemtic Name: 1-(3,4-dimethoxyphenyl)-3-[(3R)-3-phenylpyrrolidin-1-ium-1-yl]propan-1-one Openeye Name: 1-(3,4-dimethoxyphenyl)-3-[(3R)-3-phenylpyrrolidin-1-ium-1-yl]propan-1-one CAS Name: 1-(3,4-dimethoxyphenyl)-3-[(3R)-3-phenyl-1-pyrrolidin-1-iumyl]-1-propanone IUPAC Name: 1-(3,4-dimethoxyphenyl)-3-[(3R)-3-phenylpyrrolidin-1-ium-1-yl]propan-1-one Traditional Name: 1-(3,4-dimethoxyphenyl)-3-[(3R)-3-phenylpyrrolidin-1-ium-1-yl]propan-1-one Formula: C21H26NO3+ MolecularWeight: 340.43604

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)CC[NH+]2CCC(C2)C3=CC=CC=C3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)CC[NH+]2CC[C@@H](C2)C3=CC=CC=C3)OC

InChI

InChI=1S/C21H25NO3/c1-24-20-9-8-17(14-21(20)25-2)19(23)11-13-22-12-10-18(15-22)16-6-4-3-5-7-16/h3-9,14,18H,10-13,15H2,1-2H3/p+1/t18-/m0/s1