(3S)-N-(3-ethynylphenyl)piperidin-1-ium-3-carboxamide

Systemtic Name: (3S)-N-(3-ethynylphenyl)piperidin-1-ium-3-carboxamide Openeye Name: (3S)-N-(3-ethynylphenyl)piperidin-1-ium-3-carboxamide CAS Name: (3S)-N-(3-ethynylphenyl)-3-piperidin-1-iumcarboxamide IUPAC Name: (3S)-N-(3-ethynylphenyl)piperidin-1-ium-3-carboxamide Traditional Name: (3S)-N-(3-ethynylphenyl)piperidin-1-ium-3-carboxamide Formula: C14H17N2O+ MolecularWeight: 229.29758

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C#CC1=CC(=CC=C1)NC(=O)C2CCC[NH2+]C2

Isomeric SMILES

C#CC1=CC(=CC=C1)NC(=O)[C@H]2CCC[NH2+]C2

InChI

InChI=1S/C14H16N2O/c1-2-11-5-3-7-13(9-11)16-14(17)12-6-4-8-15-10-12/h1,3,5,7,9,12,15H,4,6,8,10H2,(H,16,17)/p+1/t12-/m0/s1