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

Systemtic Name: azepan-1-yl-[1-[[4-(4-methoxyphenyl)-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]piperidin-1-ium-4-yl]methanone Openeye Name: azepan-1-yl-[1-[[4-(4-methoxyphenyl)-5-thioxo-1,2,4-triazol-1-yl]methyl]piperidin-1-ium-4-yl]methanone CAS Name: 1-azepanyl-[1-[[4-(4-methoxyphenyl)-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]-4-piperidin-1-iumyl]methanone IUPAC Name: azepan-1-yl-[1-[[4-(4-methoxyphenyl)-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]piperidin-1-ium-4-yl]methanone Traditional Name: azepan-1-yl-[1-[[4-(4-methoxyphenyl)-5-thioxo-1,2,4-triazol-1-yl]methyl]piperidin-1-ium-4-yl]methanone Formula: C22H32N5O2S+ MolecularWeight: 430.58678

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2C=NN(C2=S)C[NH+]3CCC(CC3)C(=O)N4CCCCCC4

Isomeric SMILES

COC1=CC=C(C=C1)N2C=NN(C2=S)C[NH+]3CCC(CC3)C(=O)N4CCCCCC4

InChI

InChI=1S/C22H31N5O2S/c1-29-20-8-6-19(7-9-20)26-16-23-27(22(26)30)17-24-14-10-18(11-15-24)21(28)25-12-4-2-3-5-13-25/h6-9,16,18H,2-5,10-15,17H2,1H3/p+1