4-(piperidin-1-ium-1-ylmethyl)-N-[3-(2-thiophen-2-ylethynyl)phenyl]benzamide

Systemtic Name: 4-(piperidin-1-ium-1-ylmethyl)-N-[3-(2-thiophen-2-ylethynyl)phenyl]benzamide Openeye Name: 4-(piperidin-1-ium-1-ylmethyl)-N-[3-[2-(2-thienyl)ethynyl]phenyl]benzamide CAS Name: 4-(1-piperidin-1-iumylmethyl)-N-[3-(2-thiophen-2-ylethynyl)phenyl]benzamide IUPAC Name: 4-(piperidin-1-ium-1-ylmethyl)-N-[3-(2-thiophen-2-ylethynyl)phenyl]benzamide Traditional Name: 4-(piperidin-1-ium-1-ylmethyl)-N-[3-[2-(2-thienyl)ethynyl]phenyl]benzamide Formula: C25H25N2OS+ MolecularWeight: 401.5438

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CC2=CC=C(C=C2)C(=O)NC3=CC=CC(=C3)C#CC4=CC=CS4

Isomeric SMILES

C1CC[NH+](CC1)CC2=CC=C(C=C2)C(=O)NC3=CC=CC(=C3)C#CC4=CC=CS4

InChI

InChI=1S/C25H24N2OS/c28-25(22-12-9-21(10-13-22)19-27-15-2-1-3-16-27)26-23-7-4-6-20(18-23)11-14-24-8-5-17-29-24/h4-10,12-13,17-18H,1-3,15-16,19H2,(H,26,28)/p+1