N-[1-azanyl-4-(2,5-dimethylpyrrol-1-yl)-1-oxidanylidene-butan-2-yl]-2-pyridin-1-ium-4-yl-3H-benzimidazole-5-carboxamide

Systemtic Name: N-[1-azanyl-4-(2,5-dimethylpyrrol-1-yl)-1-oxidanylidene-butan-2-yl]-2-pyridin-1-ium-4-yl-3H-benzimidazole-5-carboxamide Openeye Name: N-[1-carbamoyl-3-(2,5-dimethylpyrrol-1-yl)propyl]-2-pyridin-1-ium-4-yl-3H-benzimidazole-5-carboxamide CAS Name: N-[1-amino-4-(2,5-dimethyl-1-pyrrolyl)-1-oxobutan-2-yl]-2-(4-pyridin-1-iumyl)-3H-benzimidazole-5-carboxamide IUPAC Name: N-[1-amino-4-(2,5-dimethylpyrrol-1-yl)-1-oxobutan-2-yl]-2-pyridin-1-ium-4-yl-3H-benzimidazole-5-carboxamide Traditional Name: N-[1-carbamoyl-3-(2,5-dimethylpyrrol-1-yl)propyl]-2-pyridin-1-ium-4-yl-3H-benzimidazole-5-carboxamide Formula: C23H25N6O2+ MolecularWeight: 417.4836

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(N1CCC(C(=O)N)NC(=O)C2=CC3=C(C=C2)N=C(N3)C4=CC=[NH+]C=C4)C

Isomeric SMILES

CC1=CC=C(N1CCC(C(=O)N)NC(=O)C2=CC3=C(C=C2)N=C(N3)C4=CC=[NH+]C=C4)C

InChI

InChI=1S/C23H24N6O2/c1-14-3-4-15(2)29(14)12-9-19(21(24)30)28-23(31)17-5-6-18-20(13-17)27-22(26-18)16-7-10-25-11-8-16/h3-8,10-11,13,19H,9,12H2,1-2H3,(H2,24,30)(H,26,27)(H,28,31)/p+1