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

Systemtic Name: N-(pyridin-2-ylmethyl)-4-[1-(thiophen-3-ylmethyl)piperidin-1-ium-4-yl]oxy-benzamide Openeye Name: N-(2-pyridylmethyl)-4-[1-(3-thienylmethyl)piperidin-1-ium-4-yl]oxy-benzamide CAS Name: N-(2-pyridinylmethyl)-4-[[1-(3-thiophenylmethyl)-4-piperidin-1-iumyl]oxy]benzamide IUPAC Name: N-(pyridin-2-ylmethyl)-4-[1-(thiophen-3-ylmethyl)piperidin-1-ium-4-yl]oxybenzamide Traditional Name: N-(2-pyridylmethyl)-4-[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=C(C=C2)C(=O)NCC3=CC=CC=N3)CC4=CSC=C4

Isomeric SMILES

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

InChI

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