3-oxidanylidene-N-[1-(2-oxidanylidene-2-phenylazanyl-ethyl)piperidin-1-ium-4-yl]-4H-1,4-benzoxazine-7-carboxamide

Systemtic Name: 3-oxidanylidene-N-[1-(2-oxidanylidene-2-phenylazanyl-ethyl)piperidin-1-ium-4-yl]-4H-1,4-benzoxazine-7-carboxamide Openeye Name: N-[1-(2-anilino-2-oxo-ethyl)piperidin-1-ium-4-yl]-3-oxo-4H-1,4-benzoxazine-7-carboxamide CAS Name: N-[1-(2-anilino-2-oxoethyl)-4-piperidin-1-iumyl]-3-oxo-4H-1,4-benzoxazine-7-carboxamide IUPAC Name: N-[1-(2-anilino-2-oxoethyl)piperidin-1-ium-4-yl]-3-oxo-4H-1,4-benzoxazine-7-carboxamide Traditional Name: N-[1-(2-anilino-2-keto-ethyl)piperidin-1-ium-4-yl]-3-keto-4H-1,4-benzoxazine-7-carboxamide Formula: C22H25N4O4+ MolecularWeight: 409.4583

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1NC(=O)C2=CC3=C(C=C2)NC(=O)CO3)CC(=O)NC4=CC=CC=C4

Isomeric SMILES

C1C[NH+](CCC1NC(=O)C2=CC3=C(C=C2)NC(=O)CO3)CC(=O)NC4=CC=CC=C4

InChI

InChI=1S/C22H24N4O4/c27-20(23-16-4-2-1-3-5-16)13-26-10-8-17(9-11-26)24-22(29)15-6-7-18-19(12-15)30-14-21(28)25-18/h1-7,12,17H,8-11,13-14H2,(H,23,27)(H,24,29)(H,25,28)/p+1