2-[(2S)-2-(phenylmethyl)pyrrolidin-1-ium-1-yl]-N-(2,4,6-trimethylphenyl)ethanamide

Systemtic Name: 2-[(2S)-2-(phenylmethyl)pyrrolidin-1-ium-1-yl]-N-(2,4,6-trimethylphenyl)ethanamide Openeye Name: 2-[(2S)-2-benzylpyrrolidin-1-ium-1-yl]-N-(2,4,6-trimethylphenyl)acetamide CAS Name: 2-[(2S)-2-(phenylmethyl)-1-pyrrolidin-1-iumyl]-N-(2,4,6-trimethylphenyl)acetamide IUPAC Name: 2-[(2S)-2-benzylpyrrolidin-1-ium-1-yl]-N-(2,4,6-trimethylphenyl)acetamide Traditional Name: 2-[(2S)-2-benzylpyrrolidin-1-ium-1-yl]-N-mesityl-acetamide Formula: C22H29N2O+ MolecularWeight: 337.47846

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)NC(=O)C[NH+]2CCCC2CC3=CC=CC=C3)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)NC(=O)C[NH+]2CCC[C@H]2CC3=CC=CC=C3)C

InChI

InChI=1S/C22H28N2O/c1-16-12-17(2)22(18(3)13-16)23-21(25)15-24-11-7-10-20(24)14-19-8-5-4-6-9-19/h4-6,8-9,12-13,20H,7,10-11,14-15H2,1-3H3,(H,23,25)/p+1/t20-/m0/s1