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

Systemtic Name: methyl-[(2S)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxidanylidene-butan-2-yl]-(phenylmethyl)azanium Openeye Name: benzyl-methyl-[(1S)-1-[(5-methylisoxazol-3-yl)carbamoyl]propyl]ammonium CAS Name: methyl-[(2S)-1-[(5-methyl-3-isoxazolyl)amino]-1-oxobutan-2-yl]-(phenylmethyl)ammonium IUPAC Name: benzyl-methyl-[(2S)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxobutan-2-yl]azanium Traditional Name: benzyl-methyl-[(1S)-1-[(5-methylisoxazol-3-yl)carbamoyl]propyl]ammonium Formula: C16H22N3O2+ MolecularWeight: 288.36478

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=NOC(=C1)C)[NH+](C)CC2=CC=CC=C2

Isomeric SMILES

CC[C@@H](C(=O)NC1=NOC(=C1)C)[NH+](C)CC2=CC=CC=C2

InChI

InChI=1S/C16H21N3O2/c1-4-14(16(20)17-15-10-12(2)21-18-15)19(3)11-13-8-6-5-7-9-13/h5-10,14H,4,11H2,1-3H3,(H,17,18,20)/p+1/t14-/m0/s1