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

Systemtic Name: 1-(2-methyl-1H-indol-3-yl)-2-[[4-phenyl-5-(piperidin-1-ium-1-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone Openeye Name: 1-(2-methyl-1H-indol-3-yl)-2-[[4-phenyl-5-(piperidin-1-ium-1-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone CAS Name: 1-(2-methyl-1H-indol-3-yl)-2-[[4-phenyl-5-(1-piperidin-1-iumylmethyl)-1,2,4-triazol-3-yl]thio]ethanone IUPAC Name: 1-(2-methyl-1H-indol-3-yl)-2-[[4-phenyl-5-(piperidin-1-ium-1-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone Traditional Name: 1-(2-methyl-1H-indol-3-yl)-2-[[4-phenyl-5-(piperidin-1-ium-1-ylmethyl)-1,2,4-triazol-3-yl]thio]ethanone Formula: C25H28N5OS+ MolecularWeight: 446.58772

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=CC=CC=C2N1)C(=O)CSC3=NN=C(N3C4=CC=CC=C4)C[NH+]5CCCCC5

Isomeric SMILES

CC1=C(C2=CC=CC=C2N1)C(=O)CSC3=NN=C(N3C4=CC=CC=C4)C[NH+]5CCCCC5

InChI

InChI=1S/C25H27N5OS/c1-18-24(20-12-6-7-13-21(20)26-18)22(31)17-32-25-28-27-23(16-29-14-8-3-9-15-29)30(25)19-10-4-2-5-11-19/h2,4-7,10-13,26H,3,8-9,14-17H2,1H3/p+1