1-(1-adamantyl)-4-(1-ethyl-5-methyl-pyrazol-4-yl)sulfonyl-piperazin-1-ium

Systemtic Name: 1-(1-adamantyl)-4-(1-ethyl-5-methyl-pyrazol-4-yl)sulfonyl-piperazin-1-ium Openeye Name: 1-(1-adamantyl)-4-(1-ethyl-5-methyl-pyrazol-4-yl)sulfonyl-piperazin-1-ium CAS Name: 1-(1-adamantyl)-4-[(1-ethyl-5-methyl-4-pyrazolyl)sulfonyl]piperazin-1-ium IUPAC Name: 1-(1-adamantyl)-4-(1-ethyl-5-methylpyrazol-4-yl)sulfonylpiperazin-1-ium Traditional Name: 1-(1-adamantyl)-4-(1-ethyl-5-methyl-pyrazol-4-yl)sulfonyl-piperazin-1-ium Formula: C20H33N4O2S+ MolecularWeight: 393.56662

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C(C=N1)S(=O)(=O)N2CC[NH+](CC2)C34CC5CC(C3)CC(C5)C4)C

Isomeric SMILES

CCN1C(=C(C=N1)S(=O)(=O)N2CC[NH+](CC2)C34CC5CC(C3)CC(C5)C4)C

InChI

InChI=1S/C20H32N4O2S/c1-3-24-15(2)19(14-21-24)27(25,26)23-6-4-22(5-7-23)20-11-16-8-17(12-20)10-18(9-16)13-20/h14,16-18H,3-13H2,1-2H3/p+1