(2R)-3-methyl-N-(2-morpholin-4-ium-4-ylethyl)-2-(4-oxidanylidene-1,2,3-benzotriazin-3-yl)butanamide

Systemtic Name: (2R)-3-methyl-N-(2-morpholin-4-ium-4-ylethyl)-2-(4-oxidanylidene-1,2,3-benzotriazin-3-yl)butanamide Openeye Name: (2R)-3-methyl-N-(2-morpholin-4-ium-4-ylethyl)-2-(4-oxo-1,2,3-benzotriazin-3-yl)butanamide CAS Name: (2R)-3-methyl-N-[2-(4-morpholin-4-iumyl)ethyl]-2-(4-oxo-1,2,3-benzotriazin-3-yl)butanamide IUPAC Name: (2R)-3-methyl-N-(2-morpholin-4-ium-4-ylethyl)-2-(4-oxo-1,2,3-benzotriazin-3-yl)butanamide Traditional Name: (2R)-2-(4-keto-1,2,3-benzotriazin-3-yl)-3-methyl-N-(2-morpholin-4-ium-4-ylethyl)butyramide Formula: C18H26N5O3+ MolecularWeight: 360.43074

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NCC[NH+]1CCOCC1)N2C(=O)C3=CC=CC=C3N=N2

Isomeric SMILES

CC(C)[C@H](C(=O)NCC[NH+]1CCOCC1)N2C(=O)C3=CC=CC=C3N=N2

InChI

InChI=1S/C18H25N5O3/c1-13(2)16(17(24)19-7-8-22-9-11-26-12-10-22)23-18(25)14-5-3-4-6-15(14)20-21-23/h3-6,13,16H,7-12H2,1-2H3,(H,19,24)/p+1/t16-/m1/s1