azepan-1-yl-[1-[(3-sulfanylidene-5-thiophen-2-yl-1H-1,2,4-triazol-2-yl)methyl]piperidin-1-ium-4-yl]methanone

Systemtic Name: azepan-1-yl-[1-[(3-sulfanylidene-5-thiophen-2-yl-1H-1,2,4-triazol-2-yl)methyl]piperidin-1-ium-4-yl]methanone Openeye Name: azepan-1-yl-[1-[[5-(2-thienyl)-3-thioxo-1H-1,2,4-triazol-2-yl]methyl]piperidin-1-ium-4-yl]methanone CAS Name: 1-azepanyl-[1-[(3-sulfanylidene-5-thiophen-2-yl-1H-1,2,4-triazol-2-yl)methyl]-4-piperidin-1-iumyl]methanone IUPAC Name: azepan-1-yl-[1-[(3-sulfanylidene-5-thiophen-2-yl-1H-1,2,4-triazol-2-yl)methyl]piperidin-1-ium-4-yl]methanone Traditional Name: azepan-1-yl-[1-[[5-(2-thienyl)-3-thioxo-1H-1,2,4-triazol-2-yl]methyl]piperidin-1-ium-4-yl]methanone Formula: C19H28N5OS2+ MolecularWeight: 406.58852

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)C2CC[NH+](CC2)CN3C(=S)N=C(N3)C4=CC=CS4

Isomeric SMILES

C1CCCN(CC1)C(=O)C2CC[NH+](CC2)CN3C(=S)N=C(N3)C4=CC=CS4

InChI

InChI=1S/C19H27N5OS2/c25-18(23-9-3-1-2-4-10-23)15-7-11-22(12-8-15)14-24-19(26)20-17(21-24)16-6-5-13-27-16/h5-6,13,15H,1-4,7-12,14H2,(H,20,21,26)/p+1