[4-[(2S)-1-(methylcarbamoylamino)-1-oxidanylidene-propan-2-yl]oxyphenyl]methylazanium

Systemtic Name: [4-[(2S)-1-(methylcarbamoylamino)-1-oxidanylidene-propan-2-yl]oxyphenyl]methylazanium Openeye Name: [4-[(1S)-1-methyl-2-(methylcarbamoylamino)-2-oxo-ethoxy]phenyl]methylammonium CAS Name: [4-[(2S)-1-(methylcarbamoylamino)-1-oxopropan-2-yl]oxyphenyl]methylammonium IUPAC Name: [4-[(2S)-1-(methylcarbamoylamino)-1-oxopropan-2-yl]oxyphenyl]methylazanium Traditional Name: [4-[(1S)-2-keto-1-methyl-2-(methylcarbamoylamino)ethoxy]benzyl]ammonium Formula: C12H18N3O3+ MolecularWeight: 252.28962

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(=O)NC)OC1=CC=C(C=C1)C[NH3+]

Isomeric SMILES

C[C@@H](C(=O)NC(=O)NC)OC1=CC=C(C=C1)C[NH3+]

InChI

InChI=1S/C12H17N3O3/c1-8(11(16)15-12(17)14-2)18-10-5-3-9(7-13)4-6-10/h3-6,8H,7,13H2,1-2H3,(H2,14,15,16,17)/p+1/t8-/m0/s1