1-(benzimidazol-1-yl)-3-[(2-pyrrolidin-1-ylpyridin-1-ium-4-yl)methyl]urea

Systemtic Name: 1-(benzimidazol-1-yl)-3-[(2-pyrrolidin-1-ylpyridin-1-ium-4-yl)methyl]urea Openeye Name: 1-(benzimidazol-1-yl)-3-[(2-pyrrolidin-1-ylpyridin-1-ium-4-yl)methyl]urea CAS Name: 1-(1-benzimidazolyl)-3-[[2-(1-pyrrolidinyl)-4-pyridin-1-iumyl]methyl]urea IUPAC Name: 1-(benzimidazol-1-yl)-3-[(2-pyrrolidin-1-ylpyridin-1-ium-4-yl)methyl]urea Traditional Name: 1-(benzimidazol-1-yl)-3-[(2-pyrrolidinopyridin-1-ium-4-yl)methyl]urea Formula: C18H21N6O+ MolecularWeight: 337.39894

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=[NH+]C=CC(=C2)CNC(=O)NN3C=NC4=CC=CC=C43

Isomeric SMILES

C1CCN(C1)C2=[NH+]C=CC(=C2)CNC(=O)NN3C=NC4=CC=CC=C43

InChI

InChI=1S/C18H20N6O/c25-18(22-24-13-21-15-5-1-2-6-16(15)24)20-12-14-7-8-19-17(11-14)23-9-3-4-10-23/h1-2,5-8,11,13H,3-4,9-10,12H2,(H2,20,22,25)/p+1