ethyl-[1,1,5-trimethyl-4-oxidanylidene-2-(1-phenylethylamino)-2H-3,1-benzoxazin-1-ium-6-yl]carbamic acid

Systemtic Name: ethyl-[1,1,5-trimethyl-4-oxidanylidene-2-(1-phenylethylamino)-2H-3,1-benzoxazin-1-ium-6-yl]carbamic acid Openeye Name: ethyl-[1,1,5-trimethyl-4-oxo-2-(1-phenylethylamino)-2H-3,1-benzoxazin-1-ium-6-yl]carbamic acid CAS Name: ethyl-[1,1,5-trimethyl-4-oxo-2-(1-phenylethylamino)-2H-3,1-benzoxazin-1-ium-6-yl]carbamic acid IUPAC Name: ethyl-[1,1,5-trimethyl-4-oxo-2-(1-phenylethylamino)-2H-3,1-benzoxazin-1-ium-6-yl]carbamic acid Traditional Name: ethyl-[4-keto-1,1,5-trimethyl-2-(1-phenylethylamino)-2H-3,1-benzoxazin-1-ium-6-yl]carbamic acid Formula: C22H28N3O4+ MolecularWeight: 398.47542

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C1=C(C2=C(C=C1)[N+](C(OC2=O)NC(C)C3=CC=CC=C3)(C)C)C)C(=O)O

Isomeric SMILES

CCN(C1=C(C2=C(C=C1)[N+](C(OC2=O)NC(C)C3=CC=CC=C3)(C)C)C)C(=O)O

InChI

InChI=1S/C22H27N3O4/c1-6-24(22(27)28)17-12-13-18-19(14(17)2)20(26)29-21(25(18,4)5)23-15(3)16-10-8-7-9-11-16/h7-13,15,21,23H,6H2,1-5H3/p+1