N-(3-propyl-1H-benzimidazol-3-ium-2-yl)-2-pyrrolidin-1-yl-pyridine-3-carboxamide

Systemtic Name: N-(3-propyl-1H-benzimidazol-3-ium-2-yl)-2-pyrrolidin-1-yl-pyridine-3-carboxamide Openeye Name: N-(3-propyl-1H-benzimidazol-3-ium-2-yl)-2-pyrrolidin-1-yl-pyridine-3-carboxamide CAS Name: N-(3-propyl-1H-benzimidazol-3-ium-2-yl)-2-(1-pyrrolidinyl)-3-pyridinecarboxamide IUPAC Name: N-(3-propyl-1H-benzimidazol-3-ium-2-yl)-2-pyrrolidin-1-ylpyridine-3-carboxamide Traditional Name: N-(3-propyl-1H-benzimidazol-3-ium-2-yl)-2-pyrrolidino-nicotinamide Formula: C20H24N5O+ MolecularWeight: 350.43746

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Descriptors Computed from Structure

Canonical SMILES:

CCC[N+]1=C(NC2=CC=CC=C21)NC(=O)C3=C(N=CC=C3)N4CCCC4

Isomeric SMILES

CCC[N+]1=C(NC2=CC=CC=C21)NC(=O)C3=C(N=CC=C3)N4CCCC4

InChI

InChI=1S/C20H23N5O/c1-2-12-25-17-10-4-3-9-16(17)22-20(25)23-19(26)15-8-7-11-21-18(15)24-13-5-6-14-24/h3-4,7-11H,2,5-6,12-14H2,1H3,(H,22,23,26)/p+1