1-butyl-1-propyl-N-(pyridin-2-ylmethyl)benzimidazol-1-ium-2-carboxamide

Systemtic Name: 1-butyl-1-propyl-N-(pyridin-2-ylmethyl)benzimidazol-1-ium-2-carboxamide Openeye Name: 1-butyl-1-propyl-N-(2-pyridylmethyl)benzimidazol-1-ium-2-carboxamide CAS Name: 1-butyl-1-propyl-N-(2-pyridinylmethyl)-2-benzimidazol-1-iumcarboxamide IUPAC Name: 1-butyl-1-propyl-N-(pyridin-2-ylmethyl)benzimidazol-1-ium-2-carboxamide Traditional Name: 1-butyl-1-propyl-N-(2-pyridylmethyl)benzimidazol-1-ium-2-carboxamide Formula: C21H27N4O+ MolecularWeight: 351.46528

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[N+]1(C2=CC=CC=C2N=C1C(=O)NCC3=CC=CC=N3)CCC

Isomeric SMILES

CCCC[N+]1(C2=CC=CC=C2N=C1C(=O)NCC3=CC=CC=N3)CCC

InChI

InChI=1S/C21H26N4O/c1-3-5-15-25(14-4-2)19-12-7-6-11-18(19)24-20(25)21(26)23-16-17-10-8-9-13-22-17/h6-13H,3-5,14-16H2,1-2H3/p+1