[2-[(2-methylphenyl)amino]-2-oxidanylidene-ethyl]-[(2R)-1-oxidanylbutan-2-yl]azanium

Systemtic Name: [2-[(2-methylphenyl)amino]-2-oxidanylidene-ethyl]-[(2R)-1-oxidanylbutan-2-yl]azanium Openeye Name: [(1R)-1-(hydroxymethyl)propyl]-[2-(2-methylanilino)-2-oxo-ethyl]ammonium CAS Name: [(2R)-1-hydroxybutan-2-yl]-[2-(2-methylanilino)-2-oxoethyl]ammonium IUPAC Name: [(2R)-1-hydroxybutan-2-yl]-[2-(2-methylanilino)-2-oxoethyl]azanium Traditional Name: [2-keto-2-(o-toluidino)ethyl]-[(1R)-1-methylolpropyl]ammonium Formula: C13H21N2O2+ MolecularWeight: 237.31804

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CO)[NH2+]CC(=O)NC1=CC=CC=C1C

Isomeric SMILES

CC[C@H](CO)[NH2+]CC(=O)NC1=CC=CC=C1C

InChI

InChI=1S/C13H20N2O2/c1-3-11(9-16)14-8-13(17)15-12-7-5-4-6-10(12)2/h4-7,11,14,16H,3,8-9H2,1-2H3,(H,15,17)/p+1/t11-/m1/s1