(3S)-1-[(4-methoxyphenyl)methyl]-3-(4-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)piperidin-1-ium

Systemtic Name: (3S)-1-[(4-methoxyphenyl)methyl]-3-(4-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)piperidin-1-ium Openeye Name: (3S)-1-[(4-methoxyphenyl)methyl]-3-(4-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)piperidin-1-ium CAS Name: (3S)-1-[(4-methoxyphenyl)methyl]-3-[4-methyl-5-(methylthio)-1,2,4-triazol-3-yl]piperidin-1-ium IUPAC Name: (3S)-1-[(4-methoxyphenyl)methyl]-3-(4-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)piperidin-1-ium Traditional Name: (3S)-3-[4-methyl-5-(methylthio)-1,2,4-triazol-3-yl]-1-p-anisyl-piperidin-1-ium Formula: C17H25N4OS+ MolecularWeight: 333.4716

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SC)C2CCC[NH+](C2)CC3=CC=C(C=C3)OC

Isomeric SMILES

CN1C(=NN=C1SC)[C@H]2CCC[NH+](C2)CC3=CC=C(C=C3)OC

InChI

InChI=1S/C17H24N4OS/c1-20-16(18-19-17(20)23-3)14-5-4-10-21(12-14)11-13-6-8-15(22-2)9-7-13/h6-9,14H,4-5,10-12H2,1-3H3/p+1/t14-/m0/s1