N-[(2S)-3-methyl-2-morpholin-4-ium-4-yl-butyl]-2-(4-oxidanylidene-1,2,3-benzotriazin-3-yl)ethanamide

Systemtic Name: N-[(2S)-3-methyl-2-morpholin-4-ium-4-yl-butyl]-2-(4-oxidanylidene-1,2,3-benzotriazin-3-yl)ethanamide Openeye Name: N-[(2S)-3-methyl-2-morpholin-4-ium-4-yl-butyl]-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide CAS Name: N-[(2S)-3-methyl-2-(4-morpholin-4-iumyl)butyl]-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide IUPAC Name: N-[(2S)-3-methyl-2-morpholin-4-ium-4-ylbutyl]-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide Traditional Name: 2-(4-keto-1,2,3-benzotriazin-3-yl)-N-[(2S)-3-methyl-2-morpholin-4-ium-4-yl-butyl]acetamide Formula: C18H26N5O3+ MolecularWeight: 360.43074

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(CNC(=O)CN1C(=O)C2=CC=CC=C2N=N1)[NH+]3CCOCC3

Isomeric SMILES

CC(C)[C@@H](CNC(=O)CN1C(=O)C2=CC=CC=C2N=N1)[NH+]3CCOCC3

InChI

InChI=1S/C18H25N5O3/c1-13(2)16(22-7-9-26-10-8-22)11-19-17(24)12-23-18(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