N-(4-ethanoylphenyl)-2-[[5-(2-piperidin-1-ium-1-ylethyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]ethanamide

Systemtic Name: N-(4-ethanoylphenyl)-2-[[5-(2-piperidin-1-ium-1-ylethyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: N-(4-acetylphenyl)-2-[[4-allyl-5-(2-piperidin-1-ium-1-ylethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: N-(4-acetylphenyl)-2-[[5-[2-(1-piperidin-1-iumyl)ethyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-(4-acetylphenyl)-2-[[5-(2-piperidin-1-ium-1-ylethyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]acetamide Traditional Name: N-(4-acetylphenyl)-2-[[4-allyl-5-(2-piperidin-1-ium-1-ylethyl)-1,2,4-triazol-3-yl]thio]acetamide Formula: C22H30N5O2S+ MolecularWeight: 428.5709

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NN=C(N2CC=C)CC[NH+]3CCCCC3

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NN=C(N2CC=C)CC[NH+]3CCCCC3

InChI

InChI=1S/C22H29N5O2S/c1-3-12-27-20(11-15-26-13-5-4-6-14-26)24-25-22(27)30-16-21(29)23-19-9-7-18(8-10-19)17(2)28/h3,7-10H,1,4-6,11-16H2,2H3,(H,23,29)/p+1