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

Systemtic Name: azepan-1-yl-[1-[(5-phenyl-2-sulfanylidene-1,3,4-oxadiazol-3-yl)methyl]piperidin-1-ium-4-yl]methanone Openeye Name: azepan-1-yl-[1-[(5-phenyl-2-thioxo-1,3,4-oxadiazol-3-yl)methyl]piperidin-1-ium-4-yl]methanone CAS Name: 1-azepanyl-[1-[(5-phenyl-2-sulfanylidene-1,3,4-oxadiazol-3-yl)methyl]-4-piperidin-1-iumyl]methanone IUPAC Name: azepan-1-yl-[1-[(5-phenyl-2-sulfanylidene-1,3,4-oxadiazol-3-yl)methyl]piperidin-1-ium-4-yl]methanone Traditional Name: azepan-1-yl-[1-[(5-phenyl-2-thioxo-1,3,4-oxadiazol-3-yl)methyl]piperidin-1-ium-4-yl]methanone Formula: C21H29N4O2S+ MolecularWeight: 401.54556

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H28N4O2S/c26-20(24-12-6-1-2-7-13-24)18-10-14-23(15-11-18)16-25-21(28)27-19(22-25)17-8-4-3-5-9-17/h3-5,8-9,18H,1-2,6-7,10-16H2/p+1