[(1S)-1-[(2R)-2-methyl-3-oxidanylidene-4-(2-oxidanylidene-2-phenylazanyl-ethyl)-1,4-benzoxazin-6-yl]propyl]azanium

Systemtic Name: [(1S)-1-[(2R)-2-methyl-3-oxidanylidene-4-(2-oxidanylidene-2-phenylazanyl-ethyl)-1,4-benzoxazin-6-yl]propyl]azanium Openeye Name: [(1S)-1-[(2R)-4-(2-anilino-2-oxo-ethyl)-2-methyl-3-oxo-1,4-benzoxazin-6-yl]propyl]ammonium CAS Name: [(1S)-1-[(2R)-4-(2-anilino-2-oxoethyl)-2-methyl-3-oxo-1,4-benzoxazin-6-yl]propyl]ammonium IUPAC Name: [(1S)-1-[(2R)-4-(2-anilino-2-oxoethyl)-2-methyl-3-oxo-1,4-benzoxazin-6-yl]propyl]azanium Traditional Name: [(1S)-1-[(2R)-4-(2-anilino-2-keto-ethyl)-3-keto-2-methyl-1,4-benzoxazin-6-yl]propyl]ammonium Formula: C20H24N3O3+ MolecularWeight: 354.42286

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC2=C(C=C1)OC(C(=O)N2CC(=O)NC3=CC=CC=C3)C)[NH3+]

Isomeric SMILES

CC[C@@H](C1=CC2=C(C=C1)O[C@@H](C(=O)N2CC(=O)NC3=CC=CC=C3)C)[NH3+]

InChI

InChI=1S/C20H23N3O3/c1-3-16(21)14-9-10-18-17(11-14)23(20(25)13(2)26-18)12-19(24)22-15-7-5-4-6-8-15/h4-11,13,16H,3,12,21H2,1-2H3,(H,22,24)/p+1/t13-,16+/m1/s1