2-ethoxy-6-[[4-[4-methyl-5-(2-piperidin-1-ium-1-ylethylsulfanyl)-1,2,4-triazol-3-yl]piperidin-1-ium-1-yl]methyl]phenol

Systemtic Name: 2-ethoxy-6-[[4-[4-methyl-5-(2-piperidin-1-ium-1-ylethylsulfanyl)-1,2,4-triazol-3-yl]piperidin-1-ium-1-yl]methyl]phenol Openeye Name: 2-ethoxy-6-[[4-[4-methyl-5-(2-piperidin-1-ium-1-ylethylsulfanyl)-1,2,4-triazol-3-yl]piperidin-1-ium-1-yl]methyl]phenol CAS Name: 2-ethoxy-6-[[4-[4-methyl-5-[2-(1-piperidin-1-iumyl)ethylthio]-1,2,4-triazol-3-yl]-1-piperidin-1-iumyl]methyl]phenol IUPAC Name: 2-ethoxy-6-[[4-[4-methyl-5-(2-piperidin-1-ium-1-ylethylsulfanyl)-1,2,4-triazol-3-yl]piperidin-1-ium-1-yl]methyl]phenol Traditional Name: 2-ethoxy-6-[[4-[4-methyl-5-(2-piperidin-1-ium-1-ylethylthio)-1,2,4-triazol-3-yl]piperidin-1-ium-1-yl]methyl]phenol Formula: C24H39N5O2S+2 MolecularWeight: 461.66376

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC(=C1O)C[NH+]2CCC(CC2)C3=NN=C(N3C)SCC[NH+]4CCCCC4

Isomeric SMILES

CCOC1=CC=CC(=C1O)C[NH+]2CCC(CC2)C3=NN=C(N3C)SCC[NH+]4CCCCC4

InChI

InChI=1S/C24H37N5O2S/c1-3-31-21-9-7-8-20(22(21)30)18-29-14-10-19(11-15-29)23-25-26-24(27(23)2)32-17-16-28-12-5-4-6-13-28/h7-9,19,30H,3-6,10-18H2,1-2H3/p+2