1-(4-ethoxyphenyl)-2-[[4-phenyl-5-(piperidin-1-ium-1-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone

Systemtic Name: 1-(4-ethoxyphenyl)-2-[[4-phenyl-5-(piperidin-1-ium-1-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone Openeye Name: 1-(4-ethoxyphenyl)-2-[[4-phenyl-5-(piperidin-1-ium-1-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone CAS Name: 1-(4-ethoxyphenyl)-2-[[4-phenyl-5-(1-piperidin-1-iumylmethyl)-1,2,4-triazol-3-yl]thio]ethanone IUPAC Name: 1-(4-ethoxyphenyl)-2-[[4-phenyl-5-(piperidin-1-ium-1-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone Traditional Name: 2-[[4-phenyl-5-(piperidin-1-ium-1-ylmethyl)-1,2,4-triazol-3-yl]thio]-1-p-phenetyl-ethanone Formula: C24H29N4O2S+ MolecularWeight: 437.57766

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C(=O)CSC2=NN=C(N2C3=CC=CC=C3)C[NH+]4CCCCC4

Isomeric SMILES

CCOC1=CC=C(C=C1)C(=O)CSC2=NN=C(N2C3=CC=CC=C3)C[NH+]4CCCCC4

InChI

InChI=1S/C24H28N4O2S/c1-2-30-21-13-11-19(12-14-21)22(29)18-31-24-26-25-23(17-27-15-7-4-8-16-27)28(24)20-9-5-3-6-10-20/h3,5-6,9-14H,2,4,7-8,15-18H2,1H3/p+1