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

Systemtic Name: N-(pyridin-4-ylmethyl)-4-[1-[(3S)-thiolan-3-yl]piperidin-1-ium-4-yl]oxy-benzamide Openeye Name: N-(4-pyridylmethyl)-4-[1-[(3S)-tetrahydrothiophen-3-yl]piperidin-1-ium-4-yl]oxy-benzamide CAS Name: N-(pyridin-4-ylmethyl)-4-[[1-[(3S)-3-thiolanyl]-4-piperidin-1-iumyl]oxy]benzamide IUPAC Name: N-(pyridin-4-ylmethyl)-4-[1-[(3S)-thiolan-3-yl]piperidin-1-ium-4-yl]oxybenzamide Traditional Name: N-(4-pyridylmethyl)-4-[1-[(3S)-tetrahydrothiophen-3-yl]piperidin-1-ium-4-yl]oxy-benzamide Formula: C22H28N3O2S+ MolecularWeight: 398.54162

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1OC2=CC=C(C=C2)C(=O)NCC3=CC=NC=C3)C4CCSC4

Isomeric SMILES

C1CSC[C@H]1[NH+]2CCC(CC2)OC3=CC=C(C=C3)C(=O)NCC4=CC=NC=C4

InChI

InChI=1S/C22H27N3O2S/c26-22(24-15-17-5-10-23-11-6-17)18-1-3-20(4-2-18)27-21-7-12-25(13-8-21)19-9-14-28-16-19/h1-6,10-11,19,21H,7-9,12-16H2,(H,24,26)/p+1/t19-/m0/s1