dimethyl-[(2R)-2-[3-(4-oxidanylidene-1,2,3-benzotriazin-3-yl)propanoylamino]-2-phenyl-ethyl]azanium

Systemtic Name: dimethyl-[(2R)-2-[3-(4-oxidanylidene-1,2,3-benzotriazin-3-yl)propanoylamino]-2-phenyl-ethyl]azanium Openeye Name: dimethyl-[(2R)-2-[3-(4-oxo-1,2,3-benzotriazin-3-yl)propanoylamino]-2-phenyl-ethyl]ammonium CAS Name: dimethyl-[(2R)-2-[[1-oxo-3-(4-oxo-1,2,3-benzotriazin-3-yl)propyl]amino]-2-phenylethyl]ammonium IUPAC Name: dimethyl-[(2R)-2-[3-(4-oxo-1,2,3-benzotriazin-3-yl)propanoylamino]-2-phenylethyl]azanium Traditional Name: [(2R)-2-[3-(4-keto-1,2,3-benzotriazin-3-yl)propanoylamino]-2-phenyl-ethyl]-dimethyl-ammonium Formula: C20H24N5O2+ MolecularWeight: 366.43686

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CC(C1=CC=CC=C1)NC(=O)CCN2C(=O)C3=CC=CC=C3N=N2

Isomeric SMILES

C[NH+](C)C[C@@H](C1=CC=CC=C1)NC(=O)CCN2C(=O)C3=CC=CC=C3N=N2

InChI

InChI=1S/C20H23N5O2/c1-24(2)14-18(15-8-4-3-5-9-15)21-19(26)12-13-25-20(27)16-10-6-7-11-17(16)22-23-25/h3-11,18H,12-14H2,1-2H3,(H,21,26)/p+1/t18-/m0/s1