[4-(2-adamantyl)piperazin-4-ium-1-yl]-(4-nitrophenyl)methanone

Systemtic Name: [4-(2-adamantyl)piperazin-4-ium-1-yl]-(4-nitrophenyl)methanone Openeye Name: [4-(2-adamantyl)piperazin-4-ium-1-yl]-(4-nitrophenyl)methanone CAS Name: [4-(2-adamantyl)-1-piperazin-4-iumyl]-(4-nitrophenyl)methanone IUPAC Name: [4-(2-adamantyl)piperazin-4-ium-1-yl]-(4-nitrophenyl)methanone Traditional Name: [4-(2-adamantyl)piperazin-4-ium-1-yl]-(4-nitrophenyl)methanone Formula: C21H28N3O3+ MolecularWeight: 370.46532

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27N3O3/c25-21(16-1-3-19(4-2-16)24(26)27)23-7-5-22(6-8-23)20-17-10-14-9-15(12-17)13-18(20)11-14/h1-4,14-15,17-18,20H,5-13H2/p+1