3-[[2-(2-chlorophenyl)-4-(4-methylphenyl)sulfonyl-1,3-oxazol-5-yl]amino]propyl-dimethyl-azanium

Systemtic Name: 3-[[2-(2-chlorophenyl)-4-(4-methylphenyl)sulfonyl-1,3-oxazol-5-yl]amino]propyl-dimethyl-azanium Openeye Name: 3-[[2-(2-chlorophenyl)-4-(p-tolylsulfonyl)oxazol-5-yl]amino]propyl-dimethyl-ammonium CAS Name: 3-[[2-(2-chlorophenyl)-4-(4-methylphenyl)sulfonyl-5-oxazolyl]amino]propyl-dimethylammonium IUPAC Name: 3-[[2-(2-chlorophenyl)-4-(4-methylphenyl)sulfonyl-1,3-oxazol-5-yl]amino]propyl-dimethylazanium Traditional Name: 3-[[2-(2-chlorophenyl)-4-tosyl-oxazol-5-yl]amino]propyl-dimethyl-ammonium Formula: C21H25ClN3O3S+ MolecularWeight: 434.9595

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)C2=C(OC(=N2)C3=CC=CC=C3Cl)NCCC[NH+](C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)C2=C(OC(=N2)C3=CC=CC=C3Cl)NCCC[NH+](C)C

InChI

InChI=1S/C21H24ClN3O3S/c1-15-9-11-16(12-10-15)29(26,27)21-20(23-13-6-14-25(2)3)28-19(24-21)17-7-4-5-8-18(17)22/h4-5,7-12,23H,6,13-14H2,1-3H3/p+1