1-(2-adamantyl)-4-(4-nitrophenyl)piperazin-1-ium

Systemtic Name: 1-(2-adamantyl)-4-(4-nitrophenyl)piperazin-1-ium Openeye Name: 1-(2-adamantyl)-4-(4-nitrophenyl)piperazin-1-ium CAS Name: 1-(2-adamantyl)-4-(4-nitrophenyl)piperazin-1-ium IUPAC Name: 1-(2-adamantyl)-4-(4-nitrophenyl)piperazin-1-ium Traditional Name: 1-(2-adamantyl)-4-(4-nitrophenyl)piperazin-1-ium Formula: C20H28N3O2+ MolecularWeight: 342.45522

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1C2C3CC4CC(C3)CC2C4)C5=CC=C(C=C5)[N+](=O)[O-]

Isomeric SMILES

C1CN(CC[NH+]1C2C3CC4CC(C3)CC2C4)C5=CC=C(C=C5)[N+](=O)[O-]

InChI

InChI=1S/C20H27N3O2/c24-23(25)19-3-1-18(2-4-19)21-5-7-22(8-6-21)20-16-10-14-9-15(12-16)13-17(20)11-14/h1-4,14-17,20H,5-13H2/p+1