bis[2-[(3-chloranyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl]-[(2R)-1-oxidanylbutan-2-yl]azanium

Systemtic Name: bis[2-[(3-chloranyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl]-[(2R)-1-oxidanylbutan-2-yl]azanium Openeye Name: bis[2-(3-chloro-2-methyl-anilino)-2-oxo-ethyl]-[(1R)-1-(hydroxymethyl)propyl]ammonium CAS Name: bis[2-(3-chloro-2-methylanilino)-2-oxoethyl]-[(2R)-1-hydroxybutan-2-yl]ammonium IUPAC Name: bis[2-(3-chloro-2-methylanilino)-2-oxoethyl]-[(2R)-1-hydroxybutan-2-yl]azanium Traditional Name: bis[2-(3-chloro-2-methyl-anilino)-2-keto-ethyl]-[(1R)-1-methylolpropyl]ammonium Formula: C22H28Cl2N3O3+ MolecularWeight: 453.38202

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CO)[NH+](CC(=O)NC1=C(C(=CC=C1)Cl)C)CC(=O)NC2=C(C(=CC=C2)Cl)C

Isomeric SMILES

CC[C@H](CO)[NH+](CC(=O)NC1=C(C(=CC=C1)Cl)C)CC(=O)NC2=C(C(=CC=C2)Cl)C

InChI

InChI=1S/C22H27Cl2N3O3/c1-4-16(13-28)27(11-21(29)25-19-9-5-7-17(23)14(19)2)12-22(30)26-20-10-6-8-18(24)15(20)3/h5-10,16,28H,4,11-13H2,1-3H3,(H,25,29)(H,26,30)/p+1/t16-/m1/s1