3-[(2S)-7-azanyl-3-oxidanylidene-2-phenyl-1,4-benzoxazin-4-yl]propyl-dimethyl-azanium

Systemtic Name: 3-[(2S)-7-azanyl-3-oxidanylidene-2-phenyl-1,4-benzoxazin-4-yl]propyl-dimethyl-azanium Openeye Name: 3-[(2S)-7-amino-3-oxo-2-phenyl-1,4-benzoxazin-4-yl]propyl-dimethyl-ammonium CAS Name: 3-[(2S)-7-amino-3-oxo-2-phenyl-1,4-benzoxazin-4-yl]propyl-dimethylammonium IUPAC Name: 3-[(2S)-7-amino-3-oxo-2-phenyl-1,4-benzoxazin-4-yl]propyl-dimethylazanium Traditional Name: 3-[(2S)-7-amino-3-keto-2-phenyl-1,4-benzoxazin-4-yl]propyl-dimethyl-ammonium Formula: C19H24N3O2+ MolecularWeight: 326.41276

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCCN1C2=C(C=C(C=C2)N)OC(C1=O)C3=CC=CC=C3

Isomeric SMILES

C[NH+](C)CCCN1C2=C(C=C(C=C2)N)O[C@H](C1=O)C3=CC=CC=C3

InChI

InChI=1S/C19H23N3O2/c1-21(2)11-6-12-22-16-10-9-15(20)13-17(16)24-18(19(22)23)14-7-4-3-5-8-14/h3-5,7-10,13,18H,6,11-12,20H2,1-2H3/p+1/t18-/m0/s1