methyl-[(2S)-1-[(3-methyl-1,2-oxazol-5-yl)amino]-1-oxidanylidene-propan-2-yl]-(3-phenoxypropyl)azanium

Systemtic Name: methyl-[(2S)-1-[(3-methyl-1,2-oxazol-5-yl)amino]-1-oxidanylidene-propan-2-yl]-(3-phenoxypropyl)azanium Openeye Name: methyl-[(1S)-1-methyl-2-[(3-methylisoxazol-5-yl)amino]-2-oxo-ethyl]-(3-phenoxypropyl)ammonium CAS Name: methyl-[(2S)-1-[(3-methyl-5-isoxazolyl)amino]-1-oxopropan-2-yl]-(3-phenoxypropyl)ammonium IUPAC Name: methyl-[(2S)-1-[(3-methyl-1,2-oxazol-5-yl)amino]-1-oxopropan-2-yl]-(3-phenoxypropyl)azanium Traditional Name: [(1S)-2-keto-1-methyl-2-[(3-methylisoxazol-5-yl)amino]ethyl]-methyl-(3-phenoxypropyl)ammonium Formula: C17H24N3O3+ MolecularWeight: 318.39076

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NOC(=C1)NC(=O)C(C)[NH+](C)CCCOC2=CC=CC=C2

Isomeric SMILES

CC1=NOC(=C1)NC(=O)[C@H](C)[NH+](C)CCCOC2=CC=CC=C2

InChI

InChI=1S/C17H23N3O3/c1-13-12-16(23-19-13)18-17(21)14(2)20(3)10-7-11-22-15-8-5-4-6-9-15/h4-6,8-9,12,14H,7,10-11H2,1-3H3,(H,18,21)/p+1/t14-/m0/s1