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

Systemtic Name: N-[[4-ethyl-5-(2-piperidin-1-ium-1-ylethylsulfanyl)-1,2,4-triazol-3-yl]methyl]-2,4-dimethyl-aniline Openeye Name: N-[[4-ethyl-5-(2-piperidin-1-ium-1-ylethylsulfanyl)-1,2,4-triazol-3-yl]methyl]-2,4-dimethyl-aniline CAS Name: N-[[4-ethyl-5-[2-(1-piperidin-1-iumyl)ethylthio]-1,2,4-triazol-3-yl]methyl]-2,4-dimethylaniline IUPAC Name: N-[[4-ethyl-5-(2-piperidin-1-ium-1-ylethylsulfanyl)-1,2,4-triazol-3-yl]methyl]-2,4-dimethylaniline Traditional Name: (2,4-dimethylphenyl)-[[4-ethyl-5-(2-piperidin-1-ium-1-ylethylthio)-1,2,4-triazol-3-yl]methyl]amine Formula: C20H32N5S+ MolecularWeight: 374.56658

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H31N5S/c1-4-25-19(15-21-18-9-8-16(2)14-17(18)3)22-23-20(25)26-13-12-24-10-6-5-7-11-24/h8-9,14,21H,4-7,10-13,15H2,1-3H3/p+1