3-(3-bromanyl-1,2,4-triazol-1-yl)-N-[3-(2-morpholin-4-ylethyl)-1H-benzimidazol-3-ium-2-yl]adamantane-1-carboxamide

Systemtic Name: 3-(3-bromanyl-1,2,4-triazol-1-yl)-N-[3-(2-morpholin-4-ylethyl)-1H-benzimidazol-3-ium-2-yl]adamantane-1-carboxamide Openeye Name: 3-(3-bromo-1,2,4-triazol-1-yl)-N-[3-(2-morpholinoethyl)-1H-benzimidazol-3-ium-2-yl]adamantane-1-carboxamide CAS Name: 3-(3-bromo-1,2,4-triazol-1-yl)-N-[3-[2-(4-morpholinyl)ethyl]-1H-benzimidazol-3-ium-2-yl]-1-adamantanecarboxamide IUPAC Name: 3-(3-bromo-1,2,4-triazol-1-yl)-N-[3-(2-morpholin-4-ylethyl)-1H-benzimidazol-3-ium-2-yl]adamantane-1-carboxamide Traditional Name: 3-(3-bromo-1,2,4-triazol-1-yl)-N-[3-(2-morpholinoethyl)-1H-benzimidazol-3-ium-2-yl]adamantane-1-carboxamide Formula: C26H33BrN7O2+ MolecularWeight: 555.48992

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1CC[N+]2=C(NC3=CC=CC=C32)NC(=O)C45CC6CC(C4)CC(C6)(C5)N7C=NC(=N7)Br

Isomeric SMILES

C1COCCN1CC[N+]2=C(NC3=CC=CC=C32)NC(=O)C45CC6CC(C4)CC(C6)(C5)N7C=NC(=N7)Br

InChI

InChI=1S/C26H32BrN7O2/c27-23-28-17-34(31-23)26-14-18-11-19(15-26)13-25(12-18,16-26)22(35)30-24-29-20-3-1-2-4-21(20)33(24)6-5-32-7-9-36-10-8-32/h1-4,17-19H,5-16H2,(H,29,30,35)/p+1