(3S)-N-(2-cyanoethyl)-N-phenyl-piperidin-1-ium-3-carboxamide

Systemtic Name: (3S)-N-(2-cyanoethyl)-N-phenyl-piperidin-1-ium-3-carboxamide Openeye Name: (3S)-N-(2-cyanoethyl)-N-phenyl-piperidin-1-ium-3-carboxamide CAS Name: (3S)-N-(2-cyanoethyl)-N-phenyl-3-piperidin-1-iumcarboxamide IUPAC Name: (3S)-N-(2-cyanoethyl)-N-phenylpiperidin-1-ium-3-carboxamide Traditional Name: (3S)-N-(2-cyanoethyl)-N-phenyl-piperidin-1-ium-3-carboxamide Formula: C15H20N3O+ MolecularWeight: 258.3388

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH2+]C1)C(=O)N(CCC#N)C2=CC=CC=C2

Isomeric SMILES

C1C[C@@H](C[NH2+]C1)C(=O)N(CCC#N)C2=CC=CC=C2

InChI

InChI=1S/C15H19N3O/c16-9-5-11-18(14-7-2-1-3-8-14)15(19)13-6-4-10-17-12-13/h1-3,7-8,13,17H,4-6,10-12H2/p+1/t13-/m0/s1