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

Systemtic Name: (4-dimethylaminophenyl)methyl-[(1,3-dimethyl-2-oxidanylidene-benzimidazol-5-yl)methyl]-(3-imidazol-1-ylpropyl)azanium Openeye Name: (4-dimethylaminophenyl)methyl-[(1,3-dimethyl-2-oxo-benzimidazol-5-yl)methyl]-(3-imidazol-1-ylpropyl)ammonium CAS Name: (4-dimethylaminophenyl)methyl-[(1,3-dimethyl-2-oxo-5-benzimidazolyl)methyl]-[3-(1-imidazolyl)propyl]ammonium IUPAC Name: (4-dimethylaminophenyl)methyl-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)methyl]-(3-imidazol-1-ylpropyl)azanium Traditional Name: [4-(dimethylamino)benzyl]-(3-imidazol-1-ylpropyl)-[(2-keto-1,3-dimethyl-benzimidazol-5-yl)methyl]ammonium Formula: C25H33N6O+ MolecularWeight: 433.56912

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C=C2)C[NH+](CCCN3C=CN=C3)CC4=CC=C(C=C4)N(C)C)N(C1=O)C

Isomeric SMILES

CN1C2=C(C=C(C=C2)C[NH+](CCCN3C=CN=C3)CC4=CC=C(C=C4)N(C)C)N(C1=O)C

InChI

InChI=1S/C25H32N6O/c1-27(2)22-9-6-20(7-10-22)17-31(14-5-13-30-15-12-26-19-30)18-21-8-11-23-24(16-21)29(4)25(32)28(23)3/h6-12,15-16,19H,5,13-14,17-18H2,1-4H3/p+1