N-(1H-benzimidazol-2-ylmethyl)-1-ethyl-pyridin-1-ium-4-carboxamide

Systemtic Name: N-(1H-benzimidazol-2-ylmethyl)-1-ethyl-pyridin-1-ium-4-carboxamide Openeye Name: N-(1H-benzimidazol-2-ylmethyl)-1-ethyl-pyridin-1-ium-4-carboxamide CAS Name: N-(1H-benzimidazol-2-ylmethyl)-1-ethyl-4-pyridin-1-iumcarboxamide IUPAC Name: N-(1H-benzimidazol-2-ylmethyl)-1-ethylpyridin-1-ium-4-carboxamide Traditional Name: N-(1H-benzimidazol-2-ylmethyl)-1-ethyl-pyridin-1-ium-4-carboxamide Formula: C16H17N4O+ MolecularWeight: 281.33238

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1=CC=C(C=C1)C(=O)NCC2=NC3=CC=CC=C3N2

Isomeric SMILES

CC[N+]1=CC=C(C=C1)C(=O)NCC2=NC3=CC=CC=C3N2

InChI

InChI=1S/C16H16N4O/c1-2-20-9-7-12(8-10-20)16(21)17-11-15-18-13-5-3-4-6-14(13)19-15/h3-10H,2,11H2,1H3,(H-,17,18,19,21)/p+1