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

Systemtic Name: (2R)-3-methyl-N-(3-morpholin-4-ium-4-ylpropyl)-2-(4-oxidanylidene-1,2,3-benzotriazin-3-yl)butanamide Openeye Name: (2R)-3-methyl-N-(3-morpholin-4-ium-4-ylpropyl)-2-(4-oxo-1,2,3-benzotriazin-3-yl)butanamide CAS Name: (2R)-3-methyl-N-[3-(4-morpholin-4-iumyl)propyl]-2-(4-oxo-1,2,3-benzotriazin-3-yl)butanamide IUPAC Name: (2R)-3-methyl-N-(3-morpholin-4-ium-4-ylpropyl)-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-(3-morpholin-4-ium-4-ylpropyl)butyramide Formula: C19H28N5O3+ MolecularWeight: 374.45732

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H27N5O3/c1-14(2)17(18(25)20-8-5-9-23-10-12-27-13-11-23)24-19(26)15-6-3-4-7-16(15)21-22-24/h3-4,6-7,14,17H,5,8-13H2,1-2H3,(H,20,25)/p+1/t17-/m1/s1