[(2S)-2-[[4-(benzotriazol-1-ylmethyl)phenyl]carbonylamino]-2-phenyl-ethyl]-dimethyl-azanium

Systemtic Name: [(2S)-2-[[4-(benzotriazol-1-ylmethyl)phenyl]carbonylamino]-2-phenyl-ethyl]-dimethyl-azanium Openeye Name: [(2S)-2-[[4-(benzotriazol-1-ylmethyl)benzoyl]amino]-2-phenyl-ethyl]-dimethyl-ammonium CAS Name: [(2S)-2-[[[4-(1-benzotriazolylmethyl)phenyl]-oxomethyl]amino]-2-phenylethyl]-dimethylammonium IUPAC Name: [(2S)-2-[[4-(benzotriazol-1-ylmethyl)benzoyl]amino]-2-phenylethyl]-dimethylazanium Traditional Name: [(2S)-2-[[4-(benzotriazol-1-ylmethyl)benzoyl]amino]-2-phenyl-ethyl]-dimethyl-ammonium Formula: C24H26N5O+ MolecularWeight: 400.49614

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CC(C1=CC=CC=C1)NC(=O)C2=CC=C(C=C2)CN3C4=CC=CC=C4N=N3

Isomeric SMILES

C[NH+](C)C[C@H](C1=CC=CC=C1)NC(=O)C2=CC=C(C=C2)CN3C4=CC=CC=C4N=N3

InChI

InChI=1S/C24H25N5O/c1-28(2)17-22(19-8-4-3-5-9-19)25-24(30)20-14-12-18(13-15-20)16-29-23-11-7-6-10-21(23)26-27-29/h3-15,22H,16-17H2,1-2H3,(H,25,30)/p+1/t22-/m1/s1