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

Systemtic Name: azepan-1-yl-[1-[[4-methyl-3-(2-methylphenyl)-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]piperidin-1-ium-4-yl]methanone Openeye Name: azepan-1-yl-[1-[[4-methyl-3-(o-tolyl)-5-thioxo-1,2,4-triazol-1-yl]methyl]piperidin-1-ium-4-yl]methanone CAS Name: 1-azepanyl-[1-[[4-methyl-3-(2-methylphenyl)-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]-4-piperidin-1-iumyl]methanone IUPAC Name: azepan-1-yl-[1-[[4-methyl-3-(2-methylphenyl)-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]piperidin-1-ium-4-yl]methanone Traditional Name: azepan-1-yl-[1-[[4-methyl-3-(o-tolyl)-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:

CC1=CC=CC=C1C2=NN(C(=S)N2C)C[NH+]3CCC(CC3)C(=O)N4CCCCCC4

Isomeric SMILES

CC1=CC=CC=C1C2=NN(C(=S)N2C)C[NH+]3CCC(CC3)C(=O)N4CCCCCC4

InChI

InChI=1S/C23H33N5OS/c1-18-9-5-6-10-20(18)21-24-28(23(30)25(21)2)17-26-15-11-19(12-16-26)22(29)27-13-7-3-4-8-14-27/h5-6,9-10,19H,3-4,7-8,11-17H2,1-2H3/p+1