(2S)-N-(4-cyanophenyl)-2-pyrrolidin-1-ium-1-yl-propanamide

Systemtic Name: (2S)-N-(4-cyanophenyl)-2-pyrrolidin-1-ium-1-yl-propanamide Openeye Name: (2S)-N-(4-cyanophenyl)-2-pyrrolidin-1-ium-1-yl-propanamide CAS Name: (2S)-N-(4-cyanophenyl)-2-(1-pyrrolidin-1-iumyl)propanamide IUPAC Name: (2S)-N-(4-cyanophenyl)-2-pyrrolidin-1-ium-1-ylpropanamide Traditional Name: (2S)-N-(4-cyanophenyl)-2-pyrrolidin-1-ium-1-yl-propionamide Formula: C14H18N3O+ MolecularWeight: 244.31222

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)C#N)[NH+]2CCCC2

Isomeric SMILES

C[C@@H](C(=O)NC1=CC=C(C=C1)C#N)[NH+]2CCCC2

InChI

InChI=1S/C14H17N3O/c1-11(17-8-2-3-9-17)14(18)16-13-6-4-12(10-15)5-7-13/h4-7,11H,2-3,8-9H2,1H3,(H,16,18)/p+1/t11-/m0/s1