(2S)-N-(2,5-dimethylphenyl)-2-pyrrolidin-1-ium-1-yl-propanamide

Systemtic Name: (2S)-N-(2,5-dimethylphenyl)-2-pyrrolidin-1-ium-1-yl-propanamide Openeye Name: (2S)-N-(2,5-dimethylphenyl)-2-pyrrolidin-1-ium-1-yl-propanamide CAS Name: (2S)-N-(2,5-dimethylphenyl)-2-(1-pyrrolidin-1-iumyl)propanamide IUPAC Name: (2S)-N-(2,5-dimethylphenyl)-2-pyrrolidin-1-ium-1-ylpropanamide Traditional Name: (2S)-N-(2,5-dimethylphenyl)-2-pyrrolidin-1-ium-1-yl-propionamide Formula: C15H23N2O+ MolecularWeight: 247.35592

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)NC(=O)C(C)[NH+]2CCCC2

Isomeric SMILES

CC1=CC(=C(C=C1)C)NC(=O)[C@H](C)[NH+]2CCCC2

InChI

InChI=1S/C15H22N2O/c1-11-6-7-12(2)14(10-11)16-15(18)13(3)17-8-4-5-9-17/h6-7,10,13H,4-5,8-9H2,1-3H3,(H,16,18)/p+1/t13-/m0/s1