[(1S)-2-(benzimidazol-1-yl)-1-(1,3-dimethyl-2-oxidanylidene-benzimidazol-5-yl)ethyl]azanium

Systemtic Name: [(1S)-2-(benzimidazol-1-yl)-1-(1,3-dimethyl-2-oxidanylidene-benzimidazol-5-yl)ethyl]azanium Openeye Name: [(1S)-2-(benzimidazol-1-yl)-1-(1,3-dimethyl-2-oxo-benzimidazol-5-yl)ethyl]ammonium CAS Name: [(1S)-2-(1-benzimidazolyl)-1-(1,3-dimethyl-2-oxo-5-benzimidazolyl)ethyl]ammonium IUPAC Name: [(1S)-2-(benzimidazol-1-yl)-1-(1,3-dimethyl-2-oxobenzimidazol-5-yl)ethyl]azanium Traditional Name: [(1S)-2-(benzimidazol-1-yl)-1-(2-keto-1,3-dimethyl-benzimidazol-5-yl)ethyl]ammonium Formula: C18H20N5O+ MolecularWeight: 322.3843

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C=C2)C(CN3C=NC4=CC=CC=C43)[NH3+])N(C1=O)C

Isomeric SMILES

CN1C2=C(C=C(C=C2)[C@@H](CN3C=NC4=CC=CC=C43)[NH3+])N(C1=O)C

InChI

InChI=1S/C18H19N5O/c1-21-16-8-7-12(9-17(16)22(2)18(21)24)13(19)10-23-11-20-14-5-3-4-6-15(14)23/h3-9,11,13H,10,19H2,1-2H3/p+1/t13-/m1/s1