1-(1-adamantyl)-4-(1,3-dimethylpyrazol-4-yl)sulfonyl-piperazin-1-ium

Systemtic Name: 1-(1-adamantyl)-4-(1,3-dimethylpyrazol-4-yl)sulfonyl-piperazin-1-ium Openeye Name: 1-(1-adamantyl)-4-(1,3-dimethylpyrazol-4-yl)sulfonyl-piperazin-1-ium CAS Name: 1-(1-adamantyl)-4-[(1,3-dimethyl-4-pyrazolyl)sulfonyl]piperazin-1-ium IUPAC Name: 1-(1-adamantyl)-4-(1,3-dimethylpyrazol-4-yl)sulfonylpiperazin-1-ium Traditional Name: 1-(1-adamantyl)-4-(1,3-dimethylpyrazol-4-yl)sulfonyl-piperazin-1-ium Formula: C19H31N4O2S+ MolecularWeight: 379.54004

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C=C1S(=O)(=O)N2CC[NH+](CC2)C34CC5CC(C3)CC(C5)C4)C

Isomeric SMILES

CC1=NN(C=C1S(=O)(=O)N2CC[NH+](CC2)C34CC5CC(C3)CC(C5)C4)C

InChI

InChI=1S/C19H30N4O2S/c1-14-18(13-21(2)20-14)26(24,25)23-5-3-22(4-6-23)19-10-15-7-16(11-19)9-17(8-15)12-19/h13,15-17H,3-12H2,1-2H3/p+1