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

Systemtic Name: 3-(3-bromanyl-1,2,4-triazol-1-yl)-N-[1-(2-piperidin-1-ium-1-ylethyl)benzimidazol-2-yl]adamantane-1-carboxamide Openeye Name: 3-(3-bromo-1,2,4-triazol-1-yl)-N-[1-(2-piperidin-1-ium-1-ylethyl)benzimidazol-2-yl]adamantane-1-carboxamide CAS Name: 3-(3-bromo-1,2,4-triazol-1-yl)-N-[1-[2-(1-piperidin-1-iumyl)ethyl]-2-benzimidazolyl]-1-adamantanecarboxamide IUPAC Name: 3-(3-bromo-1,2,4-triazol-1-yl)-N-[1-(2-piperidin-1-ium-1-ylethyl)benzimidazol-2-yl]adamantane-1-carboxamide Traditional Name: 3-(3-bromo-1,2,4-triazol-1-yl)-N-[1-(2-piperidin-1-ium-1-ylethyl)benzimidazol-2-yl]adamantane-1-carboxamide Formula: C27H35BrN7O+ MolecularWeight: 553.5171

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CCN2C3=CC=CC=C3N=C2NC(=O)C45CC6CC(C4)CC(C6)(C5)N7C=NC(=N7)Br

Isomeric SMILES

C1CC[NH+](CC1)CCN2C3=CC=CC=C3N=C2NC(=O)C45CC6CC(C4)CC(C6)(C5)N7C=NC(=N7)Br

InChI

InChI=1S/C27H34BrN7O/c28-24-29-18-35(32-24)27-15-19-12-20(16-27)14-26(13-19,17-27)23(36)31-25-30-21-6-2-3-7-22(21)34(25)11-10-33-8-4-1-5-9-33/h2-3,6-7,18-20H,1,4-5,8-17H2,(H,30,31,36)/p+1