1-(1-adamantyl)-4-(2,4,5-trimethylphenyl)sulfonyl-piperazin-1-ium

Systemtic Name: 1-(1-adamantyl)-4-(2,4,5-trimethylphenyl)sulfonyl-piperazin-1-ium Openeye Name: 1-(1-adamantyl)-4-(2,4,5-trimethylphenyl)sulfonyl-piperazin-1-ium CAS Name: 1-(1-adamantyl)-4-(2,4,5-trimethylphenyl)sulfonylpiperazin-1-ium IUPAC Name: 1-(1-adamantyl)-4-(2,4,5-trimethylphenyl)sulfonylpiperazin-1-ium Traditional Name: 1-(1-adamantyl)-4-(2,4,5-trimethylphenyl)sulfonyl-piperazin-1-ium Formula: C23H35N2O2S+ MolecularWeight: 403.6012

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C)S(=O)(=O)N2CC[NH+](CC2)C34CC5CC(C3)CC(C5)C4)C

Isomeric SMILES

CC1=CC(=C(C=C1C)S(=O)(=O)N2CC[NH+](CC2)C34CC5CC(C3)CC(C5)C4)C

InChI

InChI=1S/C23H34N2O2S/c1-16-8-18(3)22(9-17(16)2)28(26,27)25-6-4-24(5-7-25)23-13-19-10-20(14-23)12-21(11-19)15-23/h8-9,19-21H,4-7,10-15H2,1-3H3/p+1