(1,3-dimethyl-2-oxidanylidene-benzimidazol-5-yl)methyl-(3-imidazol-1-ylpropyl)azanium

Systemtic Name: (1,3-dimethyl-2-oxidanylidene-benzimidazol-5-yl)methyl-(3-imidazol-1-ylpropyl)azanium Openeye Name: (1,3-dimethyl-2-oxo-benzimidazol-5-yl)methyl-(3-imidazol-1-ylpropyl)ammonium CAS Name: (1,3-dimethyl-2-oxo-5-benzimidazolyl)methyl-[3-(1-imidazolyl)propyl]ammonium IUPAC Name: (1,3-dimethyl-2-oxobenzimidazol-5-yl)methyl-(3-imidazol-1-ylpropyl)azanium Traditional Name: 3-imidazol-1-ylpropyl-[(2-keto-1,3-dimethyl-benzimidazol-5-yl)methyl]ammonium Formula: C16H22N5O+ MolecularWeight: 300.37878

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C=C2)C[NH2+]CCCN3C=CN=C3)N(C1=O)C

Isomeric SMILES

CN1C2=C(C=C(C=C2)C[NH2+]CCCN3C=CN=C3)N(C1=O)C

InChI

InChI=1S/C16H21N5O/c1-19-14-5-4-13(10-15(14)20(2)16(19)22)11-17-6-3-8-21-9-7-18-12-21/h4-5,7,9-10,12,17H,3,6,8,11H2,1-2H3/p+1