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

Systemtic Name: ethyl-[1,1,5-trimethyl-4-oxidanylidene-2-(2-pyridin-3-ylethylamino)-2H-3,1-benzoxazin-1-ium-6-yl]carbamic acid Openeye Name: ethyl-[1,1,5-trimethyl-4-oxo-2-[2-(3-pyridyl)ethylamino]-2H-3,1-benzoxazin-1-ium-6-yl]carbamic acid CAS Name: ethyl-[1,1,5-trimethyl-4-oxo-2-[2-(3-pyridinyl)ethylamino]-2H-3,1-benzoxazin-1-ium-6-yl]carbamic acid IUPAC Name: ethyl-[1,1,5-trimethyl-4-oxo-2-(2-pyridin-3-ylethylamino)-2H-3,1-benzoxazin-1-ium-6-yl]carbamic acid Traditional Name: ethyl-[4-keto-1,1,5-trimethyl-2-[2-(3-pyridyl)ethylamino]-2H-3,1-benzoxazin-1-ium-6-yl]carbamic acid Formula: C21H27N4O4+ MolecularWeight: 399.46348

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C1=C(C2=C(C=C1)[N+](C(OC2=O)NCCC3=CN=CC=C3)(C)C)C)C(=O)O

Isomeric SMILES

CCN(C1=C(C2=C(C=C1)[N+](C(OC2=O)NCCC3=CN=CC=C3)(C)C)C)C(=O)O

InChI

InChI=1S/C21H26N4O4/c1-5-24(21(27)28)16-8-9-17-18(14(16)2)19(26)29-20(25(17,3)4)23-12-10-15-7-6-11-22-13-15/h6-9,11,13,20,23H,5,10,12H2,1-4H3/p+1