N-[2-[4-methyl-5-(2-morpholin-4-ium-4-ylethylsulfanyl)-1,2,4-triazol-3-yl]ethyl]-4-phenyl-benzamide

Systemtic Name: N-[2-[4-methyl-5-(2-morpholin-4-ium-4-ylethylsulfanyl)-1,2,4-triazol-3-yl]ethyl]-4-phenyl-benzamide Openeye Name: N-[2-[4-methyl-5-(2-morpholin-4-ium-4-ylethylsulfanyl)-1,2,4-triazol-3-yl]ethyl]-4-phenyl-benzamide CAS Name: N-[2-[4-methyl-5-[2-(4-morpholin-4-iumyl)ethylthio]-1,2,4-triazol-3-yl]ethyl]-4-phenylbenzamide IUPAC Name: N-[2-[4-methyl-5-(2-morpholin-4-ium-4-ylethylsulfanyl)-1,2,4-triazol-3-yl]ethyl]-4-phenylbenzamide Traditional Name: N-[2-[4-methyl-5-(2-morpholin-4-ium-4-ylethylthio)-1,2,4-triazol-3-yl]ethyl]-4-phenyl-benzamide Formula: C24H30N5O2S+ MolecularWeight: 452.5923

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC[NH+]2CCOCC2)CCNC(=O)C3=CC=C(C=C3)C4=CC=CC=C4

Isomeric SMILES

CN1C(=NN=C1SCC[NH+]2CCOCC2)CCNC(=O)C3=CC=C(C=C3)C4=CC=CC=C4

InChI

InChI=1S/C24H29N5O2S/c1-28-22(26-27-24(28)32-18-15-29-13-16-31-17-14-29)11-12-25-23(30)21-9-7-20(8-10-21)19-5-3-2-4-6-19/h2-10H,11-18H2,1H3,(H,25,30)/p+1