2-[[5-(acetamidomethyl)-4-(3-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethyl-dimethyl-azanium

Systemtic Name: 2-[[5-(acetamidomethyl)-4-(3-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethyl-dimethyl-azanium Openeye Name: 2-[[5-(acetamidomethyl)-4-(3-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethyl-dimethyl-ammonium CAS Name: 2-[[5-(acetamidomethyl)-4-(3-methoxyphenyl)-1,2,4-triazol-3-yl]thio]ethyl-dimethylammonium IUPAC Name: 2-[[5-(acetamidomethyl)-4-(3-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethyl-dimethylazanium Traditional Name: 2-[[5-(acetamidomethyl)-4-(3-methoxyphenyl)-1,2,4-triazol-3-yl]thio]ethyl-dimethyl-ammonium Formula: C16H24N5O2S+ MolecularWeight: 350.45906

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCC1=NN=C(N1C2=CC(=CC=C2)OC)SCC[NH+](C)C

Isomeric SMILES

CC(=O)NCC1=NN=C(N1C2=CC(=CC=C2)OC)SCC[NH+](C)C

InChI

InChI=1S/C16H23N5O2S/c1-12(22)17-11-15-18-19-16(24-9-8-20(2)3)21(15)13-6-5-7-14(10-13)23-4/h5-7,10H,8-9,11H2,1-4H3,(H,17,22)/p+1