[4-(1-adamantyl)piperazin-4-ium-1-yl]-(2-methyl-4-nitro-pyrazol-3-yl)methanone

Systemtic Name: [4-(1-adamantyl)piperazin-4-ium-1-yl]-(2-methyl-4-nitro-pyrazol-3-yl)methanone Openeye Name: [4-(1-adamantyl)piperazin-4-ium-1-yl]-(2-methyl-4-nitro-pyrazol-3-yl)methanone CAS Name: [4-(1-adamantyl)-1-piperazin-4-iumyl]-(2-methyl-4-nitro-3-pyrazolyl)methanone IUPAC Name: [4-(1-adamantyl)piperazin-4-ium-1-yl]-(2-methyl-4-nitropyrazol-3-yl)methanone Traditional Name: [4-(1-adamantyl)piperazin-4-ium-1-yl]-(2-methyl-4-nitro-pyrazol-3-yl)methanone Formula: C19H28N5O3+ MolecularWeight: 374.45732

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C(C=N1)[N+](=O)[O-])C(=O)N2CC[NH+](CC2)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CN1C(=C(C=N1)[N+](=O)[O-])C(=O)N2CC[NH+](CC2)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C19H27N5O3/c1-21-17(16(12-20-21)24(26)27)18(25)22-2-4-23(5-3-22)19-9-13-6-14(10-19)8-15(7-13)11-19/h12-15H,2-11H2,1H3/p+1