5-[(2-methylbenzimidazol-1-yl)methyl]-N-(2-piperidin-1-ium-1-ylethyl)-1,2-oxazole-3-carboxamide

Systemtic Name: 5-[(2-methylbenzimidazol-1-yl)methyl]-N-(2-piperidin-1-ium-1-ylethyl)-1,2-oxazole-3-carboxamide Openeye Name: 5-[(2-methylbenzimidazol-1-yl)methyl]-N-(2-piperidin-1-ium-1-ylethyl)isoxazole-3-carboxamide CAS Name: 5-[(2-methyl-1-benzimidazolyl)methyl]-N-[2-(1-piperidin-1-iumyl)ethyl]-3-isoxazolecarboxamide IUPAC Name: 5-[(2-methylbenzimidazol-1-yl)methyl]-N-(2-piperidin-1-ium-1-ylethyl)-1,2-oxazole-3-carboxamide Traditional Name: 5-[(2-methylbenzimidazol-1-yl)methyl]-N-(2-piperidin-1-ium-1-ylethyl)isoxazole-3-carboxamide Formula: C20H26N5O2+ MolecularWeight: 368.45274

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=CC=CC=C2N1CC3=CC(=NO3)C(=O)NCC[NH+]4CCCCC4

Isomeric SMILES

CC1=NC2=CC=CC=C2N1CC3=CC(=NO3)C(=O)NCC[NH+]4CCCCC4

InChI

InChI=1S/C20H25N5O2/c1-15-22-17-7-3-4-8-19(17)25(15)14-16-13-18(23-27-16)20(26)21-9-12-24-10-5-2-6-11-24/h3-4,7-8,13H,2,5-6,9-12,14H2,1H3,(H,21,26)/p+1