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

Systemtic Name: N-(1H-benzimidazol-2-ylmethyl)-1-ethyl-pyridin-1-ium-4-carboxamide bromide Openeye Name: N-(1H-benzimidazol-2-ylmethyl)-1-ethyl-pyridin-1-ium-4-carboxamide bromide CAS Name: N-(1H-benzimidazol-2-ylmethyl)-1-ethyl-4-pyridin-1-iumcarboxamide bromide IUPAC Name: N-(1H-benzimidazol-2-ylmethyl)-1-ethylpyridin-1-ium-4-carboxamide bromide Traditional Name: N-(1H-benzimidazol-2-ylmethyl)-1-ethyl-pyridin-1-ium-4-carboxamide bromide Formula: C16H17BrN4O MolecularWeight: 361.23638

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H16N4O.BrH/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);1H