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

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

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)C(CNC(=O)CCN1C(=O)C2=CC=CC=C2N=N1)C3=CC=CC=C3

Isomeric SMILES

C[NH+](C)[C@H](CNC(=O)CCN1C(=O)C2=CC=CC=C2N=N1)C3=CC=CC=C3

InChI

InChI=1S/C20H23N5O2/c1-24(2)18(15-8-4-3-5-9-15)14-21-19(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-/m1/s1