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

Systemtic Name: azepan-1-yl-[1-[[4-methyl-3-(phenylmethyl)-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]piperidin-1-ium-4-yl]methanone Openeye Name: azepan-1-yl-[1-[(3-benzyl-4-methyl-5-thioxo-1,2,4-triazol-1-yl)methyl]piperidin-1-ium-4-yl]methanone CAS Name: 1-azepanyl-[1-[[4-methyl-3-(phenylmethyl)-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]-4-piperidin-1-iumyl]methanone IUPAC Name: azepan-1-yl-[1-[(3-benzyl-4-methyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]piperidin-1-ium-4-yl]methanone Traditional Name: azepan-1-yl-[1-[(3-benzyl-4-methyl-5-thioxo-1,2,4-triazol-1-yl)methyl]piperidin-1-ium-4-yl]methanone Formula: C23H34N5OS+ MolecularWeight: 428.61396

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN(C1=S)C[NH+]2CCC(CC2)C(=O)N3CCCCCC3)CC4=CC=CC=C4

Isomeric SMILES

CN1C(=NN(C1=S)C[NH+]2CCC(CC2)C(=O)N3CCCCCC3)CC4=CC=CC=C4

InChI

InChI=1S/C23H33N5OS/c1-25-21(17-19-9-5-4-6-10-19)24-28(23(25)30)18-26-15-11-20(12-16-26)22(29)27-13-7-2-3-8-14-27/h4-6,9-10,20H,2-3,7-8,11-18H2,1H3/p+1