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

Systemtic Name: azepan-1-yl-[1-[(4-ethyl-5-sulfanylidene-3-thiophen-2-yl-1,2,4-triazol-1-yl)methyl]piperidin-1-ium-4-yl]methanone Openeye Name: azepan-1-yl-[1-[[4-ethyl-3-(2-thienyl)-5-thioxo-1,2,4-triazol-1-yl]methyl]piperidin-1-ium-4-yl]methanone CAS Name: 1-azepanyl-[1-[(4-ethyl-5-sulfanylidene-3-thiophen-2-yl-1,2,4-triazol-1-yl)methyl]-4-piperidin-1-iumyl]methanone IUPAC Name: azepan-1-yl-[1-[(4-ethyl-5-sulfanylidene-3-thiophen-2-yl-1,2,4-triazol-1-yl)methyl]piperidin-1-ium-4-yl]methanone Traditional Name: azepan-1-yl-[1-[[4-ethyl-3-(2-thienyl)-5-thioxo-1,2,4-triazol-1-yl]methyl]piperidin-1-ium-4-yl]methanone Formula: C21H32N5OS2+ MolecularWeight: 434.64168

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN(C1=S)C[NH+]2CCC(CC2)C(=O)N3CCCCCC3)C4=CC=CS4

Isomeric SMILES

CCN1C(=NN(C1=S)C[NH+]2CCC(CC2)C(=O)N3CCCCCC3)C4=CC=CS4

InChI

InChI=1S/C21H31N5OS2/c1-2-25-19(18-8-7-15-29-18)22-26(21(25)28)16-23-13-9-17(10-14-23)20(27)24-11-5-3-4-6-12-24/h7-8,15,17H,2-6,9-14,16H2,1H3/p+1