(2S)-N-(3-methylphenyl)-2-pyrrolidin-1-ium-1-yl-propanamide

Systemtic Name: (2S)-N-(3-methylphenyl)-2-pyrrolidin-1-ium-1-yl-propanamide Openeye Name: (2S)-N-(m-tolyl)-2-pyrrolidin-1-ium-1-yl-propanamide CAS Name: (2S)-N-(3-methylphenyl)-2-(1-pyrrolidin-1-iumyl)propanamide IUPAC Name: (2S)-N-(3-methylphenyl)-2-pyrrolidin-1-ium-1-ylpropanamide Traditional Name: (2S)-N-(m-tolyl)-2-pyrrolidin-1-ium-1-yl-propionamide Formula: C14H21N2O+ MolecularWeight: 233.32934

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H20N2O/c1-11-6-5-7-13(10-11)15-14(17)12(2)16-8-3-4-9-16/h5-7,10,12H,3-4,8-9H2,1-2H3,(H,15,17)/p+1/t12-/m0/s1