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

Systemtic Name: N-(pyridin-4-ylmethyl)-4-[1-(thian-4-yl)piperidin-1-ium-4-yl]oxy-benzamide Openeye Name: N-(4-pyridylmethyl)-4-(1-tetrahydrothiopyran-4-ylpiperidin-1-ium-4-yl)oxy-benzamide CAS Name: N-(pyridin-4-ylmethyl)-4-[[1-(4-thianyl)-4-piperidin-1-iumyl]oxy]benzamide IUPAC Name: N-(pyridin-4-ylmethyl)-4-[1-(thian-4-yl)piperidin-1-ium-4-yl]oxybenzamide Traditional Name: N-(4-pyridylmethyl)-4-(1-tetrahydrothiopyran-4-ylpiperidin-1-ium-4-yl)oxy-benzamide Formula: C23H30N3O2S+ MolecularWeight: 412.5682

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1OC2=CC=C(C=C2)C(=O)NCC3=CC=NC=C3)C4CCSCC4

Isomeric SMILES

C1C[NH+](CCC1OC2=CC=C(C=C2)C(=O)NCC3=CC=NC=C3)C4CCSCC4

InChI

InChI=1S/C23H29N3O2S/c27-23(25-17-18-5-11-24-12-6-18)19-1-3-21(4-2-19)28-22-7-13-26(14-8-22)20-9-15-29-16-10-20/h1-6,11-12,20,22H,7-10,13-17H2,(H,25,27)/p+1