N-(1-azanyl-1-oxidanylidene-3-phenoxy-propan-2-yl)-2-pyridin-1-ium-4-yl-3H-benzimidazole-5-carboxamide

Systemtic Name: N-(1-azanyl-1-oxidanylidene-3-phenoxy-propan-2-yl)-2-pyridin-1-ium-4-yl-3H-benzimidazole-5-carboxamide Openeye Name: N-[2-amino-2-oxo-1-(phenoxymethyl)ethyl]-2-pyridin-1-ium-4-yl-3H-benzimidazole-5-carboxamide CAS Name: N-(1-amino-1-oxo-3-phenoxypropan-2-yl)-2-(4-pyridin-1-iumyl)-3H-benzimidazole-5-carboxamide IUPAC Name: N-(1-amino-1-oxo-3-phenoxypropan-2-yl)-2-pyridin-1-ium-4-yl-3H-benzimidazole-5-carboxamide Traditional Name: N-[2-amino-2-keto-1-(phenoxymethyl)ethyl]-2-pyridin-1-ium-4-yl-3H-benzimidazole-5-carboxamide Formula: C22H20N5O3+ MolecularWeight: 402.4259

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OCC(C(=O)N)NC(=O)C2=CC3=C(C=C2)N=C(N3)C4=CC=[NH+]C=C4

Isomeric SMILES

C1=CC=C(C=C1)OCC(C(=O)N)NC(=O)C2=CC3=C(C=C2)N=C(N3)C4=CC=[NH+]C=C4

InChI

InChI=1S/C22H19N5O3/c23-20(28)19(13-30-16-4-2-1-3-5-16)27-22(29)15-6-7-17-18(12-15)26-21(25-17)14-8-10-24-11-9-14/h1-12,19H,13H2,(H2,23,28)(H,25,26)(H,27,29)/p+1