3-(3-chloranyl-1,2,4-triazol-1-yl)-N-(3-nitro-5-pyridin-1-ium-3-yloxy-phenyl)adamantane-1-carboxamide

Systemtic Name: 3-(3-chloranyl-1,2,4-triazol-1-yl)-N-(3-nitro-5-pyridin-1-ium-3-yloxy-phenyl)adamantane-1-carboxamide Openeye Name: 3-(3-chloro-1,2,4-triazol-1-yl)-N-(3-nitro-5-pyridin-1-ium-3-yloxy-phenyl)adamantane-1-carboxamide CAS Name: 3-(3-chloro-1,2,4-triazol-1-yl)-N-[3-nitro-5-(3-pyridin-1-iumyloxy)phenyl]-1-adamantanecarboxamide IUPAC Name: 3-(3-chloro-1,2,4-triazol-1-yl)-N-(3-nitro-5-pyridin-1-ium-3-yloxyphenyl)adamantane-1-carboxamide Traditional Name: 3-(3-chloro-1,2,4-triazol-1-yl)-N-(3-nitro-5-pyridin-1-ium-3-yloxy-phenyl)adamantane-1-carboxamide Formula: C24H24ClN6O4+ MolecularWeight: 495.93816

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3(CC1CC(C2)(C3)N4C=NC(=N4)Cl)C(=O)NC5=CC(=CC(=C5)OC6=C[NH+]=CC=C6)[N+](=O)[O-]

Isomeric SMILES

C1C2CC3(CC1CC(C2)(C3)N4C=NC(=N4)Cl)C(=O)NC5=CC(=CC(=C5)OC6=C[NH+]=CC=C6)[N+](=O)[O-]

InChI

InChI=1S/C24H23ClN6O4/c25-22-27-14-30(29-22)24-10-15-4-16(11-24)9-23(8-15,13-24)21(32)28-17-5-18(31(33)34)7-20(6-17)35-19-2-1-3-26-12-19/h1-3,5-7,12,14-16H,4,8-11,13H2,(H,28,32)/p+1