dimethyl-[(2S)-2-[2-[(2S)-3-oxidanylidene-4H-1,4-benzoxazin-2-yl]ethanoylamino]-2-phenyl-ethyl]azanium

Systemtic Name: dimethyl-[(2S)-2-[2-[(2S)-3-oxidanylidene-4H-1,4-benzoxazin-2-yl]ethanoylamino]-2-phenyl-ethyl]azanium Openeye Name: dimethyl-[(2S)-2-[[2-[(2S)-3-oxo-4H-1,4-benzoxazin-2-yl]acetyl]amino]-2-phenyl-ethyl]ammonium CAS Name: dimethyl-[(2S)-2-[[1-oxo-2-[(2S)-3-oxo-4H-1,4-benzoxazin-2-yl]ethyl]amino]-2-phenylethyl]ammonium IUPAC Name: dimethyl-[(2S)-2-[[2-[(2S)-3-oxo-4H-1,4-benzoxazin-2-yl]acetyl]amino]-2-phenylethyl]azanium Traditional Name: [(2S)-2-[[2-[(2S)-3-keto-4H-1,4-benzoxazin-2-yl]acetyl]amino]-2-phenyl-ethyl]-dimethyl-ammonium Formula: C20H24N3O3+ MolecularWeight: 354.42286

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CC(C1=CC=CC=C1)NC(=O)CC2C(=O)NC3=CC=CC=C3O2

Isomeric SMILES

C[NH+](C)C[C@H](C1=CC=CC=C1)NC(=O)C[C@H]2C(=O)NC3=CC=CC=C3O2

InChI

InChI=1S/C20H23N3O3/c1-23(2)13-16(14-8-4-3-5-9-14)21-19(24)12-18-20(25)22-15-10-6-7-11-17(15)26-18/h3-11,16,18H,12-13H2,1-2H3,(H,21,24)(H,22,25)/p+1/t16-,18+/m1/s1