[2-[(2-methyl-6-propan-2-yl-phenyl)amino]-2-oxidanylidene-ethyl]-[(2R)-1-oxidanylbutan-2-yl]azanium

Systemtic Name: [2-[(2-methyl-6-propan-2-yl-phenyl)amino]-2-oxidanylidene-ethyl]-[(2R)-1-oxidanylbutan-2-yl]azanium Openeye Name: [(1R)-1-(hydroxymethyl)propyl]-[2-(2-isopropyl-6-methyl-anilino)-2-oxo-ethyl]ammonium CAS Name: [(2R)-1-hydroxybutan-2-yl]-[2-(2-methyl-6-propan-2-ylanilino)-2-oxoethyl]ammonium IUPAC Name: [(2R)-1-hydroxybutan-2-yl]-[2-(2-methyl-6-propan-2-ylanilino)-2-oxoethyl]azanium Traditional Name: [2-(2-isopropyl-6-methyl-anilino)-2-keto-ethyl]-[(1R)-1-methylolpropyl]ammonium Formula: C16H27N2O2+ MolecularWeight: 279.39778

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H26N2O2/c1-5-13(10-19)17-9-15(20)18-16-12(4)7-6-8-14(16)11(2)3/h6-8,11,13,17,19H,5,9-10H2,1-4H3,(H,18,20)/p+1/t13-/m1/s1