2-[2-[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanylethanoylamino]ethyl-di(propan-2-yl)azanium

Systemtic Name: 2-[2-[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanylethanoylamino]ethyl-di(propan-2-yl)azanium Openeye Name: 2-[[2-[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanylacetyl]amino]ethyl-diisopropyl-ammonium CAS Name: 2-[[2-[[1-(2,3-dimethylphenyl)-2-imidazolyl]thio]-1-oxoethyl]amino]ethyl-di(propan-2-yl)ammonium IUPAC Name: 2-[[2-[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanylacetyl]amino]ethyl-di(propan-2-yl)azanium Traditional Name: 2-[[2-[[1-(2,3-dimethylphenyl)imidazol-2-yl]thio]acetyl]amino]ethyl-diisopropyl-ammonium Formula: C21H33N4OS+ MolecularWeight: 389.57792

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)N2C=CN=C2SCC(=O)NCC[NH+](C(C)C)C(C)C)C

Isomeric SMILES

CC1=C(C(=CC=C1)N2C=CN=C2SCC(=O)NCC[NH+](C(C)C)C(C)C)C

InChI

InChI=1S/C21H32N4OS/c1-15(2)24(16(3)4)12-10-22-20(26)14-27-21-23-11-13-25(21)19-9-7-8-17(5)18(19)6/h7-9,11,13,15-16H,10,12,14H2,1-6H3,(H,22,26)/p+1