(3S)-1-[2-(4-cyanophenoxy)ethyl]-N-phenyl-piperidin-1-ium-3-carboxamide

Systemtic Name: (3S)-1-[2-(4-cyanophenoxy)ethyl]-N-phenyl-piperidin-1-ium-3-carboxamide Openeye Name: (3S)-1-[2-(4-cyanophenoxy)ethyl]-N-phenyl-piperidin-1-ium-3-carboxamide CAS Name: (3S)-1-[2-(4-cyanophenoxy)ethyl]-N-phenyl-3-piperidin-1-iumcarboxamide IUPAC Name: (3S)-1-[2-(4-cyanophenoxy)ethyl]-N-phenylpiperidin-1-ium-3-carboxamide Traditional Name: (3S)-1-[2-(4-cyanophenoxy)ethyl]-N-phenyl-piperidin-1-ium-3-carboxamide Formula: C21H24N3O2+ MolecularWeight: 350.43416

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)CCOC2=CC=C(C=C2)C#N)C(=O)NC3=CC=CC=C3

Isomeric SMILES

C1C[C@@H](C[NH+](C1)CCOC2=CC=C(C=C2)C#N)C(=O)NC3=CC=CC=C3

InChI

InChI=1S/C21H23N3O2/c22-15-17-8-10-20(11-9-17)26-14-13-24-12-4-5-18(16-24)21(25)23-19-6-2-1-3-7-19/h1-3,6-11,18H,4-5,12-14,16H2,(H,23,25)/p+1/t18-/m0/s1