N-(pyridin-2-ylmethyl)-3-[1-(thiophen-3-ylmethyl)piperidin-1-ium-4-yl]oxy-benzamide

Systemtic Name: N-(pyridin-2-ylmethyl)-3-[1-(thiophen-3-ylmethyl)piperidin-1-ium-4-yl]oxy-benzamide Openeye Name: N-(2-pyridylmethyl)-3-[1-(3-thienylmethyl)piperidin-1-ium-4-yl]oxy-benzamide CAS Name: N-(2-pyridinylmethyl)-3-[[1-(3-thiophenylmethyl)-4-piperidin-1-iumyl]oxy]benzamide IUPAC Name: N-(pyridin-2-ylmethyl)-3-[1-(thiophen-3-ylmethyl)piperidin-1-ium-4-yl]oxybenzamide Traditional Name: N-(2-pyridylmethyl)-3-[1-(3-thenyl)piperidin-1-ium-4-yl]oxy-benzamide Formula: C23H26N3O2S+ MolecularWeight: 408.53644

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1OC2=CC=CC(=C2)C(=O)NCC3=CC=CC=N3)CC4=CSC=C4

Isomeric SMILES

C1C[NH+](CCC1OC2=CC=CC(=C2)C(=O)NCC3=CC=CC=N3)CC4=CSC=C4

InChI

InChI=1S/C23H25N3O2S/c27-23(25-15-20-5-1-2-10-24-20)19-4-3-6-22(14-19)28-21-7-11-26(12-8-21)16-18-9-13-29-17-18/h1-6,9-10,13-14,17,21H,7-8,11-12,15-16H2,(H,25,27)/p+1