cyclohexyl-methyl-[[2-[2-(4-oxidanylidene-1,2,3-benzotriazin-3-yl)ethanoylamino]phenyl]methyl]azanium

Systemtic Name: cyclohexyl-methyl-[[2-[2-(4-oxidanylidene-1,2,3-benzotriazin-3-yl)ethanoylamino]phenyl]methyl]azanium Openeye Name: cyclohexyl-methyl-[[2-[[2-(4-oxo-1,2,3-benzotriazin-3-yl)acetyl]amino]phenyl]methyl]ammonium CAS Name: cyclohexyl-methyl-[[2-[[1-oxo-2-(4-oxo-1,2,3-benzotriazin-3-yl)ethyl]amino]phenyl]methyl]ammonium IUPAC Name: cyclohexyl-methyl-[[2-[[2-(4-oxo-1,2,3-benzotriazin-3-yl)acetyl]amino]phenyl]methyl]azanium Traditional Name: cyclohexyl-[2-[[2-(4-keto-1,2,3-benzotriazin-3-yl)acetyl]amino]benzyl]-methyl-ammonium Formula: C23H28N5O2+ MolecularWeight: 406.50072

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CC=CC=C1NC(=O)CN2C(=O)C3=CC=CC=C3N=N2)C4CCCCC4

Isomeric SMILES

C[NH+](CC1=CC=CC=C1NC(=O)CN2C(=O)C3=CC=CC=C3N=N2)C4CCCCC4

InChI

InChI=1S/C23H27N5O2/c1-27(18-10-3-2-4-11-18)15-17-9-5-7-13-20(17)24-22(29)16-28-23(30)19-12-6-8-14-21(19)25-26-28/h5-9,12-14,18H,2-4,10-11,15-16H2,1H3,(H,24,29)/p+1