N-(2-morpholin-4-ylethyl)-1-oxidanidyl-6-propan-2-yl-1,2,4-benzotriazin-1-ium-3-amine

Systemtic Name: N-(2-morpholin-4-ylethyl)-1-oxidanidyl-6-propan-2-yl-1,2,4-benzotriazin-1-ium-3-amine Openeye Name: 6-isopropyl-N-(2-morpholinoethyl)-1-oxido-1,2,4-benzotriazin-1-ium-3-amine CAS Name: N-[2-(4-morpholinyl)ethyl]-1-oxido-6-propan-2-yl-1,2,4-benzotriazin-1-ium-3-amine IUPAC Name: N-(2-morpholin-4-ylethyl)-1-oxido-6-propan-2-yl-1,2,4-benzotriazin-1-ium-3-amine Traditional Name: (6-isopropyl-1-oxido-1,2,4-benzotriazin-1-ium-3-yl)-(2-morpholinoethyl)amine Formula: C16H23N5O2 MolecularWeight: 317.38612

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC2=C(C=C1)[N+](=NC(=N2)NCCN3CCOCC3)[O-]

Isomeric SMILES

CC(C)C1=CC2=C(C=C1)[N+](=NC(=N2)NCCN3CCOCC3)[O-]

InChI

InChI=1S/C16H23N5O2/c1-12(2)13-3-4-15-14(11-13)18-16(19-21(15)22)17-5-6-20-7-9-23-10-8-20/h3-4,11-12H,5-10H2,1-2H3,(H,17,18,19)