ethyl 4-[[1-(1H-benzimidazol-2-ylmethyl)pyridin-1-ium-4-yl]carbonylamino]benzoate

Systemtic Name: ethyl 4-[[1-(1H-benzimidazol-2-ylmethyl)pyridin-1-ium-4-yl]carbonylamino]benzoate Openeye Name: ethyl 4-[[1-(1H-benzimidazol-2-ylmethyl)pyridin-1-ium-4-carbonyl]amino]benzoate CAS Name: 4-[[[1-(1H-benzimidazol-2-ylmethyl)-4-pyridin-1-iumyl]-oxomethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[1-(1H-benzimidazol-2-ylmethyl)pyridin-1-ium-4-carbonyl]amino]benzoate Traditional Name: 4-[[1-(1H-benzimidazol-2-ylmethyl)pyridin-1-ium-4-carbonyl]amino]benzoic acid ethyl ester Formula: C23H21N4O3+ MolecularWeight: 401.43784

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=O)C2=CC=[N+](C=C2)CC3=NC4=CC=CC=C4N3

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)C2=CC=[N+](C=C2)CC3=NC4=CC=CC=C4N3

InChI

InChI=1S/C23H20N4O3/c1-2-30-23(29)17-7-9-18(10-8-17)24-22(28)16-11-13-27(14-12-16)15-21-25-19-5-3-4-6-20(19)26-21/h3-14H,2,15H2,1H3,(H-,24,25,26,28,29)/p+1