2-[4-(1-adamantyl)piperazine-1,4-diium-1-yl]-N-(3-nitrophenyl)ethanamide

Systemtic Name: 2-[4-(1-adamantyl)piperazine-1,4-diium-1-yl]-N-(3-nitrophenyl)ethanamide Openeye Name: 2-[4-(1-adamantyl)piperazine-1,4-diium-1-yl]-N-(3-nitrophenyl)acetamide CAS Name: 2-[4-(1-adamantyl)-1-piperazine-1,4-diiumyl]-N-(3-nitrophenyl)acetamide IUPAC Name: 2-[4-(1-adamantyl)piperazine-1,4-diium-1-yl]-N-(3-nitrophenyl)acetamide Traditional Name: 2-[4-(1-adamantyl)piperazine-1,4-diium-1-yl]-N-(3-nitrophenyl)acetamide Formula: C22H32N4O3+2 MolecularWeight: 400.51448

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC[NH+]1CC(=O)NC2=CC(=CC=C2)[N+](=O)[O-])C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

C1C[NH+](CC[NH+]1CC(=O)NC2=CC(=CC=C2)[N+](=O)[O-])C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C22H30N4O3/c27-21(23-19-2-1-3-20(11-19)26(28)29)15-24-4-6-25(7-5-24)22-12-16-8-17(13-22)10-18(9-16)14-22/h1-3,11,16-18H,4-10,12-15H2,(H,23,27)/p+2