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

Systemtic Name: N-(pyridin-3-ylmethyl)-3-[1-[(3S)-thiolan-3-yl]piperidin-1-ium-4-yl]oxy-benzamide Openeye Name: N-(3-pyridylmethyl)-3-[1-[(3S)-tetrahydrothiophen-3-yl]piperidin-1-ium-4-yl]oxy-benzamide CAS Name: N-(3-pyridinylmethyl)-3-[[1-[(3S)-3-thiolanyl]-4-piperidin-1-iumyl]oxy]benzamide IUPAC Name: N-(pyridin-3-ylmethyl)-3-[1-[(3S)-thiolan-3-yl]piperidin-1-ium-4-yl]oxybenzamide Traditional Name: N-(3-pyridylmethyl)-3-[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=CC(=C2)C(=O)NCC3=CN=CC=C3)C4CCSC4

Isomeric SMILES

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

InChI

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