N-[[4-ethyl-5-[2-(4-methylpiperazin-4-ium-1-yl)-2-oxidanylidene-ethyl]sulfanyl-1,2,4-triazol-3-yl]methyl]-4-methoxy-benzamide

Systemtic Name: N-[[4-ethyl-5-[2-(4-methylpiperazin-4-ium-1-yl)-2-oxidanylidene-ethyl]sulfanyl-1,2,4-triazol-3-yl]methyl]-4-methoxy-benzamide Openeye Name: N-[[4-ethyl-5-[2-(4-methylpiperazin-4-ium-1-yl)-2-oxo-ethyl]sulfanyl-1,2,4-triazol-3-yl]methyl]-4-methoxy-benzamide CAS Name: N-[[4-ethyl-5-[[2-(4-methyl-1-piperazin-4-iumyl)-2-oxoethyl]thio]-1,2,4-triazol-3-yl]methyl]-4-methoxybenzamide IUPAC Name: N-[[4-ethyl-5-[2-(4-methylpiperazin-4-ium-1-yl)-2-oxoethyl]sulfanyl-1,2,4-triazol-3-yl]methyl]-4-methoxybenzamide Traditional Name: N-[[4-ethyl-5-[[2-keto-2-(4-methylpiperazin-4-ium-1-yl)ethyl]thio]-1,2,4-triazol-3-yl]methyl]-4-methoxy-benzamide Formula: C20H29N6O3S+ MolecularWeight: 433.54766

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC(=O)N2CC[NH+](CC2)C)CNC(=O)C3=CC=C(C=C3)OC

Isomeric SMILES

CCN1C(=NN=C1SCC(=O)N2CC[NH+](CC2)C)CNC(=O)C3=CC=C(C=C3)OC

InChI

InChI=1S/C20H28N6O3S/c1-4-26-17(13-21-19(28)15-5-7-16(29-3)8-6-15)22-23-20(26)30-14-18(27)25-11-9-24(2)10-12-25/h5-8H,4,9-14H2,1-3H3,(H,21,28)/p+1