N-[[4-ethyl-5-(2-piperidin-1-ium-1-ylethylsulfanyl)-1,2,4-triazol-3-yl]methyl]-4-methoxy-aniline

Systemtic Name: N-[[4-ethyl-5-(2-piperidin-1-ium-1-ylethylsulfanyl)-1,2,4-triazol-3-yl]methyl]-4-methoxy-aniline Openeye Name: N-[[4-ethyl-5-(2-piperidin-1-ium-1-ylethylsulfanyl)-1,2,4-triazol-3-yl]methyl]-4-methoxy-aniline CAS Name: N-[[4-ethyl-5-[2-(1-piperidin-1-iumyl)ethylthio]-1,2,4-triazol-3-yl]methyl]-4-methoxyaniline IUPAC Name: N-[[4-ethyl-5-(2-piperidin-1-ium-1-ylethylsulfanyl)-1,2,4-triazol-3-yl]methyl]-4-methoxyaniline Traditional Name: [4-ethyl-5-(2-piperidin-1-ium-1-ylethylthio)-1,2,4-triazol-3-yl]methyl-(4-methoxyphenyl)amine Formula: C19H30N5OS+ MolecularWeight: 376.5394

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC[NH+]2CCCCC2)CNC3=CC=C(C=C3)OC

Isomeric SMILES

CCN1C(=NN=C1SCC[NH+]2CCCCC2)CNC3=CC=C(C=C3)OC

InChI

InChI=1S/C19H29N5OS/c1-3-24-18(15-20-16-7-9-17(25-2)10-8-16)21-22-19(24)26-14-13-23-11-5-4-6-12-23/h7-10,20H,3-6,11-15H2,1-2H3/p+1