(2R)-N-(3-ethynylphenyl)piperidin-1-ium-2-carboxamide

Systemtic Name: (2R)-N-(3-ethynylphenyl)piperidin-1-ium-2-carboxamide Openeye Name: (2R)-N-(3-ethynylphenyl)piperidin-1-ium-2-carboxamide CAS Name: (2R)-N-(3-ethynylphenyl)-2-piperidin-1-iumcarboxamide IUPAC Name: (2R)-N-(3-ethynylphenyl)piperidin-1-ium-2-carboxamide Traditional Name: (2R)-N-(3-ethynylphenyl)piperidin-1-ium-2-carboxamide Formula: C14H17N2O+ MolecularWeight: 229.29758

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Descriptors Computed from Structure

Canonical SMILES:

C#CC1=CC(=CC=C1)NC(=O)C2CCCC[NH2+]2

Isomeric SMILES

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

InChI

InChI=1S/C14H16N2O/c1-2-11-6-5-7-12(10-11)16-14(17)13-8-3-4-9-15-13/h1,5-7,10,13,15H,3-4,8-9H2,(H,16,17)/p+1/t13-/m1/s1