4-bromanyl-1,5-dimethyl-N-[1-(2-piperidin-1-ium-1-ylethyl)benzimidazol-2-yl]pyrazole-3-carboxamide

Systemtic Name: 4-bromanyl-1,5-dimethyl-N-[1-(2-piperidin-1-ium-1-ylethyl)benzimidazol-2-yl]pyrazole-3-carboxamide Openeye Name: 4-bromo-1,5-dimethyl-N-[1-(2-piperidin-1-ium-1-ylethyl)benzimidazol-2-yl]pyrazole-3-carboxamide CAS Name: 4-bromo-1,5-dimethyl-N-[1-[2-(1-piperidin-1-iumyl)ethyl]-2-benzimidazolyl]-3-pyrazolecarboxamide IUPAC Name: 4-bromo-1,5-dimethyl-N-[1-(2-piperidin-1-ium-1-ylethyl)benzimidazol-2-yl]pyrazole-3-carboxamide Traditional Name: 4-bromo-1,5-dimethyl-N-[1-(2-piperidin-1-ium-1-ylethyl)benzimidazol-2-yl]pyrazole-3-carboxamide Formula: C20H26BrN6O+ MolecularWeight: 446.36404

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C)C(=O)NC2=NC3=CC=CC=C3N2CC[NH+]4CCCCC4)Br

Isomeric SMILES

CC1=C(C(=NN1C)C(=O)NC2=NC3=CC=CC=C3N2CC[NH+]4CCCCC4)Br

InChI

InChI=1S/C20H25BrN6O/c1-14-17(21)18(24-25(14)2)19(28)23-20-22-15-8-4-5-9-16(15)27(20)13-12-26-10-6-3-7-11-26/h4-5,8-9H,3,6-7,10-13H2,1-2H3,(H,22,23,28)/p+1