azepan-1-yl-[1-[[5-(phenylmethyl)-2-sulfanylidene-1,3,4-oxadiazol-3-yl]methyl]piperidin-1-ium-4-yl]methanone

Systemtic Name: azepan-1-yl-[1-[[5-(phenylmethyl)-2-sulfanylidene-1,3,4-oxadiazol-3-yl]methyl]piperidin-1-ium-4-yl]methanone Openeye Name: azepan-1-yl-[1-[(5-benzyl-2-thioxo-1,3,4-oxadiazol-3-yl)methyl]piperidin-1-ium-4-yl]methanone CAS Name: 1-azepanyl-[1-[[5-(phenylmethyl)-2-sulfanylidene-1,3,4-oxadiazol-3-yl]methyl]-4-piperidin-1-iumyl]methanone IUPAC Name: azepan-1-yl-[1-[(5-benzyl-2-sulfanylidene-1,3,4-oxadiazol-3-yl)methyl]piperidin-1-ium-4-yl]methanone Traditional Name: azepan-1-yl-[1-[(5-benzyl-2-thioxo-1,3,4-oxadiazol-3-yl)methyl]piperidin-1-ium-4-yl]methanone Formula: C22H31N4O2S+ MolecularWeight: 415.57214

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)C2CC[NH+](CC2)CN3C(=S)OC(=N3)CC4=CC=CC=C4

Isomeric SMILES

C1CCCN(CC1)C(=O)C2CC[NH+](CC2)CN3C(=S)OC(=N3)CC4=CC=CC=C4

InChI

InChI=1S/C22H30N4O2S/c27-21(25-12-6-1-2-7-13-25)19-10-14-24(15-11-19)17-26-22(29)28-20(23-26)16-18-8-4-3-5-9-18/h3-5,8-9,19H,1-2,6-7,10-17H2/p+1