N-(2-methyl-6-propan-2-yl-phenyl)-2-[[5-(2-piperidin-1-ium-1-ylethyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]ethanamide

Systemtic Name: N-(2-methyl-6-propan-2-yl-phenyl)-2-[[5-(2-piperidin-1-ium-1-ylethyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: 2-[[4-allyl-5-(2-piperidin-1-ium-1-ylethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-isopropyl-6-methyl-phenyl)acetamide CAS Name: N-(2-methyl-6-propan-2-ylphenyl)-2-[[5-[2-(1-piperidin-1-iumyl)ethyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-(2-methyl-6-propan-2-ylphenyl)-2-[[5-(2-piperidin-1-ium-1-ylethyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]acetamide Traditional Name: 2-[[4-allyl-5-(2-piperidin-1-ium-1-ylethyl)-1,2,4-triazol-3-yl]thio]-N-(2-isopropyl-6-methyl-phenyl)acetamide Formula: C24H36N5OS+ MolecularWeight: 442.64054

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C(C)C)NC(=O)CSC2=NN=C(N2CC=C)CC[NH+]3CCCCC3

Isomeric SMILES

CC1=C(C(=CC=C1)C(C)C)NC(=O)CSC2=NN=C(N2CC=C)CC[NH+]3CCCCC3

InChI

InChI=1S/C24H35N5OS/c1-5-13-29-21(12-16-28-14-7-6-8-15-28)26-27-24(29)31-17-22(30)25-23-19(4)10-9-11-20(23)18(2)3/h5,9-11,18H,1,6-8,12-17H2,2-4H3,(H,25,30)/p+1