[3-(2-chloranyl-3-methyl-phenoxy)-2-oxidanyl-propyl]-[2-(6-diazanylpyridazin-3-yl)sulfanylethyl]-dimethyl-azanium

Systemtic Name: [3-(2-chloranyl-3-methyl-phenoxy)-2-oxidanyl-propyl]-[2-(6-diazanylpyridazin-3-yl)sulfanylethyl]-dimethyl-azanium Openeye Name: [3-(2-chloro-3-methyl-phenoxy)-2-hydroxy-propyl]-[2-(6-hydrazinopyridazin-3-yl)sulfanylethyl]-dimethyl-ammonium CAS Name: [3-(2-chloro-3-methylphenoxy)-2-hydroxypropyl]-[2-[(6-hydrazinyl-3-pyridazinyl)thio]ethyl]-dimethylammonium IUPAC Name: [3-(2-chloro-3-methylphenoxy)-2-hydroxypropyl]-[2-(6-hydrazinylpyridazin-3-yl)sulfanylethyl]-dimethylazanium Traditional Name: [3-(2-chloro-3-methyl-phenoxy)-2-hydroxy-propyl]-[2-[(6-hydrazinopyridazin-3-yl)thio]ethyl]-dimethyl-ammonium Formula: C18H27ClN5O2S+ MolecularWeight: 412.95728

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)OCC(C[N+](C)(C)CCSC2=NN=C(C=C2)NN)O)Cl

Isomeric SMILES

CC1=C(C(=CC=C1)OCC(C[N+](C)(C)CCSC2=NN=C(C=C2)NN)O)Cl

InChI

InChI=1S/C18H27ClN5O2S/c1-13-5-4-6-15(18(13)19)26-12-14(25)11-24(2,3)9-10-27-17-8-7-16(21-20)22-23-17/h4-8,14,25H,9-12,20H2,1-3H3,(H,21,22)/q+1