(2R)-N-(3-cyanophenyl)-2-piperidin-1-ium-1-yl-propanamide

Systemtic Name: (2R)-N-(3-cyanophenyl)-2-piperidin-1-ium-1-yl-propanamide Openeye Name: (2R)-N-(3-cyanophenyl)-2-piperidin-1-ium-1-yl-propanamide CAS Name: (2R)-N-(3-cyanophenyl)-2-(1-piperidin-1-iumyl)propanamide IUPAC Name: (2R)-N-(3-cyanophenyl)-2-piperidin-1-ium-1-ylpropanamide Traditional Name: (2R)-N-(3-cyanophenyl)-2-piperidin-1-ium-1-yl-propionamide Formula: C15H20N3O+ MolecularWeight: 258.3388

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC(=C1)C#N)[NH+]2CCCCC2

Isomeric SMILES

C[C@H](C(=O)NC1=CC=CC(=C1)C#N)[NH+]2CCCCC2

InChI

InChI=1S/C15H19N3O/c1-12(18-8-3-2-4-9-18)15(19)17-14-7-5-6-13(10-14)11-16/h5-7,10,12H,2-4,8-9H2,1H3,(H,17,19)/p+1/t12-/m1/s1