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

Systemtic Name: 2,4-dimethyl-N-[[5-(2-piperidin-1-ium-1-ylethylsulfanyl)-1,3,4-oxadiazol-2-yl]methyl]aniline Openeye Name: 2,4-dimethyl-N-[[5-(2-piperidin-1-ium-1-ylethylsulfanyl)-1,3,4-oxadiazol-2-yl]methyl]aniline CAS Name: 2,4-dimethyl-N-[[5-[2-(1-piperidin-1-iumyl)ethylthio]-1,3,4-oxadiazol-2-yl]methyl]aniline IUPAC Name: 2,4-dimethyl-N-[[5-(2-piperidin-1-ium-1-ylethylsulfanyl)-1,3,4-oxadiazol-2-yl]methyl]aniline Traditional Name: (2,4-dimethylphenyl)-[[5-(2-piperidin-1-ium-1-ylethylthio)-1,3,4-oxadiazol-2-yl]methyl]amine Formula: C18H27N4OS+ MolecularWeight: 347.49818

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NCC2=NN=C(O2)SCC[NH+]3CCCCC3)C

Isomeric SMILES

CC1=CC(=C(C=C1)NCC2=NN=C(O2)SCC[NH+]3CCCCC3)C

InChI

InChI=1S/C18H26N4OS/c1-14-6-7-16(15(2)12-14)19-13-17-20-21-18(23-17)24-11-10-22-8-4-3-5-9-22/h6-7,12,19H,3-5,8-11,13H2,1-2H3/p+1