4-cyano-N-[(2S)-2-(furan-2-yl)-2-piperidin-1-ium-1-yl-ethyl]benzamide

Systemtic Name: 4-cyano-N-[(2S)-2-(furan-2-yl)-2-piperidin-1-ium-1-yl-ethyl]benzamide Openeye Name: 4-cyano-N-[(2S)-2-(2-furyl)-2-piperidin-1-ium-1-yl-ethyl]benzamide CAS Name: 4-cyano-N-[(2S)-2-(2-furanyl)-2-(1-piperidin-1-iumyl)ethyl]benzamide IUPAC Name: 4-cyano-N-[(2S)-2-(furan-2-yl)-2-piperidin-1-ium-1-ylethyl]benzamide Traditional Name: 4-cyano-N-[(2S)-2-(2-furyl)-2-piperidin-1-ium-1-yl-ethyl]benzamide Formula: C19H22N3O2+ MolecularWeight: 324.39688

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)C(CNC(=O)C2=CC=C(C=C2)C#N)C3=CC=CO3

Isomeric SMILES

C1CC[NH+](CC1)[C@@H](CNC(=O)C2=CC=C(C=C2)C#N)C3=CC=CO3

InChI

InChI=1S/C19H21N3O2/c20-13-15-6-8-16(9-7-15)19(23)21-14-17(18-5-4-12-24-18)22-10-2-1-3-11-22/h4-9,12,17H,1-3,10-11,14H2,(H,21,23)/p+1/t17-/m0/s1