3-[(4-bromanylpyrazol-1-yl)methyl]-N-[1-(2-piperidin-1-ium-1-ylethyl)benzimidazol-2-yl]benzamide

Systemtic Name: 3-[(4-bromanylpyrazol-1-yl)methyl]-N-[1-(2-piperidin-1-ium-1-ylethyl)benzimidazol-2-yl]benzamide Openeye Name: 3-[(4-bromopyrazol-1-yl)methyl]-N-[1-(2-piperidin-1-ium-1-ylethyl)benzimidazol-2-yl]benzamide CAS Name: 3-[(4-bromo-1-pyrazolyl)methyl]-N-[1-[2-(1-piperidin-1-iumyl)ethyl]-2-benzimidazolyl]benzamide IUPAC Name: 3-[(4-bromopyrazol-1-yl)methyl]-N-[1-(2-piperidin-1-ium-1-ylethyl)benzimidazol-2-yl]benzamide Traditional Name: 3-[(4-bromopyrazol-1-yl)methyl]-N-[1-(2-piperidin-1-ium-1-ylethyl)benzimidazol-2-yl]benzamide Formula: C25H28BrN6O+ MolecularWeight: 508.43342

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CCN2C3=CC=CC=C3N=C2NC(=O)C4=CC(=CC=C4)CN5C=C(C=N5)Br

Isomeric SMILES

C1CC[NH+](CC1)CCN2C3=CC=CC=C3N=C2NC(=O)C4=CC(=CC=C4)CN5C=C(C=N5)Br

InChI

InChI=1S/C25H27BrN6O/c26-21-16-27-31(18-21)17-19-7-6-8-20(15-19)24(33)29-25-28-22-9-2-3-10-23(22)32(25)14-13-30-11-4-1-5-12-30/h2-3,6-10,15-16,18H,1,4-5,11-14,17H2,(H,28,29,33)/p+1