[2-(benzimidazol-1-yl)pyridin-3-yl]methyl-[(1-pyrimidin-2-ylpyrrol-2-yl)methyl]azanium

Systemtic Name: [2-(benzimidazol-1-yl)pyridin-3-yl]methyl-[(1-pyrimidin-2-ylpyrrol-2-yl)methyl]azanium Openeye Name: [2-(benzimidazol-1-yl)-3-pyridyl]methyl-[(1-pyrimidin-2-ylpyrrol-2-yl)methyl]ammonium CAS Name: [2-(1-benzimidazolyl)-3-pyridinyl]methyl-[[1-(2-pyrimidinyl)-2-pyrrolyl]methyl]ammonium IUPAC Name: [2-(benzimidazol-1-yl)pyridin-3-yl]methyl-[(1-pyrimidin-2-ylpyrrol-2-yl)methyl]azanium Traditional Name: [2-(benzimidazol-1-yl)-3-pyridyl]methyl-[[1-(2-pyrimidyl)pyrrol-2-yl]methyl]ammonium Formula: C22H20N7+ MolecularWeight: 382.4411

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=CN2C3=C(C=CC=N3)C[NH2+]CC4=CC=CN4C5=NC=CC=N5

Isomeric SMILES

C1=CC=C2C(=C1)N=CN2C3=C(C=CC=N3)C[NH2+]CC4=CC=CN4C5=NC=CC=N5

InChI

InChI=1S/C22H19N7/c1-2-9-20-19(8-1)27-16-29(20)21-17(6-3-10-24-21)14-23-15-18-7-4-13-28(18)22-25-11-5-12-26-22/h1-13,16,23H,14-15H2/p+1