N-[(2,4-dimethylphenyl)carbamoyl]-2-[4-(2-oxidanylidene-3H-benzimidazol-1-yl)piperidin-1-ium-1-yl]ethanamide

Systemtic Name: N-[(2,4-dimethylphenyl)carbamoyl]-2-[4-(2-oxidanylidene-3H-benzimidazol-1-yl)piperidin-1-ium-1-yl]ethanamide Openeye Name: N-[(2,4-dimethylphenyl)carbamoyl]-2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-ium-1-yl]acetamide CAS Name: N-[(2,4-dimethylanilino)-oxomethyl]-2-[4-(2-oxo-3H-benzimidazol-1-yl)-1-piperidin-1-iumyl]acetamide IUPAC Name: N-[(2,4-dimethylphenyl)carbamoyl]-2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-ium-1-yl]acetamide Traditional Name: N-[(2,4-dimethylphenyl)carbamoyl]-2-[4-(2-keto-3H-benzimidazol-1-yl)piperidin-1-ium-1-yl]acetamide Formula: C23H28N5O3+ MolecularWeight: 422.50012

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)NC(=O)C[NH+]2CCC(CC2)N3C4=CC=CC=C4NC3=O)C

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)NC(=O)C[NH+]2CCC(CC2)N3C4=CC=CC=C4NC3=O)C

InChI

InChI=1S/C23H27N5O3/c1-15-7-8-18(16(2)13-15)24-22(30)26-21(29)14-27-11-9-17(10-12-27)28-20-6-4-3-5-19(20)25-23(28)31/h3-8,13,17H,9-12,14H2,1-2H3,(H,25,31)(H2,24,26,29,30)/p+1