[3,5-dimethyl-4-[(2S)-1-(methylcarbamoylamino)-1-oxidanylidene-propan-2-yl]oxy-phenyl]methylazanium

Systemtic Name: [3,5-dimethyl-4-[(2S)-1-(methylcarbamoylamino)-1-oxidanylidene-propan-2-yl]oxy-phenyl]methylazanium Openeye Name: [3,5-dimethyl-4-[(1S)-1-methyl-2-(methylcarbamoylamino)-2-oxo-ethoxy]phenyl]methylammonium CAS Name: [3,5-dimethyl-4-[(2S)-1-(methylcarbamoylamino)-1-oxopropan-2-yl]oxyphenyl]methylammonium IUPAC Name: [3,5-dimethyl-4-[(2S)-1-(methylcarbamoylamino)-1-oxopropan-2-yl]oxyphenyl]methylazanium Traditional Name: [4-[(1S)-2-keto-1-methyl-2-(methylcarbamoylamino)ethoxy]-3,5-dimethyl-benzyl]ammonium Formula: C14H22N3O3+ MolecularWeight: 280.34278

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1OC(C)C(=O)NC(=O)NC)C)C[NH3+]

Isomeric SMILES

CC1=CC(=CC(=C1O[C@@H](C)C(=O)NC(=O)NC)C)C[NH3+]

InChI

InChI=1S/C14H21N3O3/c1-8-5-11(7-15)6-9(2)12(8)20-10(3)13(18)17-14(19)16-4/h5-6,10H,7,15H2,1-4H3,(H2,16,17,18,19)/p+1/t10-/m0/s1