2-[(2S)-2-phenylpyrrolidin-1-ium-1-yl]-N-(3,4,5-trimethoxyphenyl)ethanamide

Systemtic Name: 2-[(2S)-2-phenylpyrrolidin-1-ium-1-yl]-N-(3,4,5-trimethoxyphenyl)ethanamide Openeye Name: 2-[(2S)-2-phenylpyrrolidin-1-ium-1-yl]-N-(3,4,5-trimethoxyphenyl)acetamide CAS Name: 2-[(2S)-2-phenyl-1-pyrrolidin-1-iumyl]-N-(3,4,5-trimethoxyphenyl)acetamide IUPAC Name: 2-[(2S)-2-phenylpyrrolidin-1-ium-1-yl]-N-(3,4,5-trimethoxyphenyl)acetamide Traditional Name: 2-[(2S)-2-phenylpyrrolidin-1-ium-1-yl]-N-(3,4,5-trimethoxyphenyl)acetamide Formula: C21H27N2O4+ MolecularWeight: 371.45008

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)NC(=O)C[NH+]2CCCC2C3=CC=CC=C3

Isomeric SMILES

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

InChI

InChI=1S/C21H26N2O4/c1-25-18-12-16(13-19(26-2)21(18)27-3)22-20(24)14-23-11-7-10-17(23)15-8-5-4-6-9-15/h4-6,8-9,12-13,17H,7,10-11,14H2,1-3H3,(H,22,24)/p+1/t17-/m0/s1