methyl-[(2S)-1-(methylcarbamoylamino)-1-oxidanylidene-propan-2-yl]-(3-phenoxypropyl)azanium

Systemtic Name: methyl-[(2S)-1-(methylcarbamoylamino)-1-oxidanylidene-propan-2-yl]-(3-phenoxypropyl)azanium Openeye Name: methyl-[(1S)-1-methyl-2-(methylcarbamoylamino)-2-oxo-ethyl]-(3-phenoxypropyl)ammonium CAS Name: methyl-[(2S)-1-(methylcarbamoylamino)-1-oxopropan-2-yl]-(3-phenoxypropyl)ammonium IUPAC Name: methyl-[(2S)-1-(methylcarbamoylamino)-1-oxopropan-2-yl]-(3-phenoxypropyl)azanium Traditional Name: [(1S)-2-keto-1-methyl-2-(methylcarbamoylamino)ethyl]-methyl-(3-phenoxypropyl)ammonium Formula: C15H24N3O3+ MolecularWeight: 294.36936

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(=O)NC)[NH+](C)CCCOC1=CC=CC=C1

Isomeric SMILES

C[C@@H](C(=O)NC(=O)NC)[NH+](C)CCCOC1=CC=CC=C1

InChI

InChI=1S/C15H23N3O3/c1-12(14(19)17-15(20)16-2)18(3)10-7-11-21-13-8-5-4-6-9-13/h4-6,8-9,12H,7,10-11H2,1-3H3,(H2,16,17,19,20)/p+1/t12-/m0/s1