[2-[(5-chloranyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl]-[(2R)-1-oxidanylbutan-2-yl]azanium

Systemtic Name: [2-[(5-chloranyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl]-[(2R)-1-oxidanylbutan-2-yl]azanium Openeye Name: [2-(5-chloro-2-methyl-anilino)-2-oxo-ethyl]-[(1R)-1-(hydroxymethyl)propyl]ammonium CAS Name: [2-(5-chloro-2-methylanilino)-2-oxoethyl]-[(2R)-1-hydroxybutan-2-yl]ammonium IUPAC Name: [2-(5-chloro-2-methylanilino)-2-oxoethyl]-[(2R)-1-hydroxybutan-2-yl]azanium Traditional Name: [2-(5-chloro-2-methyl-anilino)-2-keto-ethyl]-[(1R)-1-methylolpropyl]ammonium Formula: C13H20ClN2O2+ MolecularWeight: 271.7631

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CO)[NH2+]CC(=O)NC1=C(C=CC(=C1)Cl)C

Isomeric SMILES

CC[C@H](CO)[NH2+]CC(=O)NC1=C(C=CC(=C1)Cl)C

InChI

InChI=1S/C13H19ClN2O2/c1-3-11(8-17)15-7-13(18)16-12-6-10(14)5-4-9(12)2/h4-6,11,15,17H,3,7-8H2,1-2H3,(H,16,18)/p+1/t11-/m1/s1