methyl-[[4-methyl-5-(2-phenoxyethylsulfanyl)-1,2,4-triazol-3-yl]methyl]-(quinolin-8-ylmethyl)azanium

Systemtic Name: methyl-[[4-methyl-5-(2-phenoxyethylsulfanyl)-1,2,4-triazol-3-yl]methyl]-(quinolin-8-ylmethyl)azanium Openeye Name: methyl-[[4-methyl-5-(2-phenoxyethylsulfanyl)-1,2,4-triazol-3-yl]methyl]-(8-quinolylmethyl)ammonium CAS Name: methyl-[[4-methyl-5-(2-phenoxyethylthio)-1,2,4-triazol-3-yl]methyl]-(8-quinolinylmethyl)ammonium IUPAC Name: methyl-[[4-methyl-5-(2-phenoxyethylsulfanyl)-1,2,4-triazol-3-yl]methyl]-(quinolin-8-ylmethyl)azanium Traditional Name: methyl-[[4-methyl-5-(2-phenoxyethylthio)-1,2,4-triazol-3-yl]methyl]-(8-quinolylmethyl)ammonium Formula: C23H26N5OS+ MolecularWeight: 420.55044

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCCOC2=CC=CC=C2)C[NH+](C)CC3=CC=CC4=C3N=CC=C4

Isomeric SMILES

CN1C(=NN=C1SCCOC2=CC=CC=C2)C[NH+](C)CC3=CC=CC4=C3N=CC=C4

InChI

InChI=1S/C23H25N5OS/c1-27(16-19-9-6-8-18-10-7-13-24-22(18)19)17-21-25-26-23(28(21)2)30-15-14-29-20-11-4-3-5-12-20/h3-13H,14-17H2,1-2H3/p+1