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

Systemtic Name: 4-methyl-N-[2-[4-methyl-5-(2-morpholin-4-ium-4-ylethylsulfanyl)-1,2,4-triazol-3-yl]ethyl]benzamide Openeye Name: 4-methyl-N-[2-[4-methyl-5-(2-morpholin-4-ium-4-ylethylsulfanyl)-1,2,4-triazol-3-yl]ethyl]benzamide CAS Name: 4-methyl-N-[2-[4-methyl-5-[2-(4-morpholin-4-iumyl)ethylthio]-1,2,4-triazol-3-yl]ethyl]benzamide IUPAC Name: 4-methyl-N-[2-[4-methyl-5-(2-morpholin-4-ium-4-ylethylsulfanyl)-1,2,4-triazol-3-yl]ethyl]benzamide Traditional Name: 4-methyl-N-[2-[4-methyl-5-(2-morpholin-4-ium-4-ylethylthio)-1,2,4-triazol-3-yl]ethyl]benzamide Formula: C19H28N5O2S+ MolecularWeight: 390.52292

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)NCCC2=NN=C(N2C)SCC[NH+]3CCOCC3

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)NCCC2=NN=C(N2C)SCC[NH+]3CCOCC3

InChI

InChI=1S/C19H27N5O2S/c1-15-3-5-16(6-4-15)18(25)20-8-7-17-21-22-19(23(17)2)27-14-11-24-9-12-26-13-10-24/h3-6H,7-14H2,1-2H3,(H,20,25)/p+1