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

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

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCCOC2=CC=CC=C2)C[NH+](C)CC3=CC=NC4=CC=CC=C34

Isomeric SMILES

CN1C(=NN=C1SCCOC2=CC=CC=C2)C[NH+](C)CC3=CC=NC4=CC=CC=C34

InChI

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