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

Systemtic Name: N-(pyridin-4-ylmethyl)-4-[1-(thiophen-2-ylmethyl)piperidin-1-ium-4-yl]oxy-benzamide Openeye Name: N-(4-pyridylmethyl)-4-[1-(2-thienylmethyl)piperidin-1-ium-4-yl]oxy-benzamide CAS Name: N-(pyridin-4-ylmethyl)-4-[[1-(thiophen-2-ylmethyl)-4-piperidin-1-iumyl]oxy]benzamide IUPAC Name: N-(pyridin-4-ylmethyl)-4-[1-(thiophen-2-ylmethyl)piperidin-1-ium-4-yl]oxybenzamide Traditional Name: N-(4-pyridylmethyl)-4-[1-(2-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=NC=C3)CC4=CC=CS4

Isomeric SMILES

C1C[NH+](CCC1OC2=CC=C(C=C2)C(=O)NCC3=CC=NC=C3)CC4=CC=CS4

InChI

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