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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2=NC(=S)N(N2)C[NH+]3CCC(CC3)C(=O)N4CCCCCC4

Isomeric SMILES

CCC1=CC=C(C=C1)C2=NC(=S)N(N2)C[NH+]3CCC(CC3)C(=O)N4CCCCCC4

InChI

InChI=1S/C23H33N5OS/c1-2-18-7-9-19(10-8-18)21-24-23(30)28(25-21)17-26-15-11-20(12-16-26)22(29)27-13-5-3-4-6-14-27/h7-10,20H,2-6,11-17H2,1H3,(H,24,25,30)/p+1