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

Systemtic Name: 2-chloranyl-N-[[4-ethyl-5-(2-piperidin-1-ium-1-ylethylsulfanyl)-1,2,4-triazol-3-yl]methyl]aniline Openeye Name: 2-chloro-N-[[4-ethyl-5-(2-piperidin-1-ium-1-ylethylsulfanyl)-1,2,4-triazol-3-yl]methyl]aniline CAS Name: 2-chloro-N-[[4-ethyl-5-[2-(1-piperidin-1-iumyl)ethylthio]-1,2,4-triazol-3-yl]methyl]aniline IUPAC Name: 2-chloro-N-[[4-ethyl-5-(2-piperidin-1-ium-1-ylethylsulfanyl)-1,2,4-triazol-3-yl]methyl]aniline Traditional Name: (2-chlorophenyl)-[[4-ethyl-5-(2-piperidin-1-ium-1-ylethylthio)-1,2,4-triazol-3-yl]methyl]amine Formula: C18H27ClN5S+ MolecularWeight: 380.95848

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC[NH+]2CCCCC2)CNC3=CC=CC=C3Cl

Isomeric SMILES

CCN1C(=NN=C1SCC[NH+]2CCCCC2)CNC3=CC=CC=C3Cl

InChI

InChI=1S/C18H26ClN5S/c1-2-24-17(14-20-16-9-5-4-8-15(16)19)21-22-18(24)25-13-12-23-10-6-3-7-11-23/h4-5,8-9,20H,2-3,6-7,10-14H2,1H3/p+1