1-(1-adamantyl)-4-(4-methylphenyl)sulfonyl-piperazin-1-ium

Systemtic Name: 1-(1-adamantyl)-4-(4-methylphenyl)sulfonyl-piperazin-1-ium Openeye Name: 1-(1-adamantyl)-4-(p-tolylsulfonyl)piperazin-1-ium CAS Name: 1-(1-adamantyl)-4-(4-methylphenyl)sulfonylpiperazin-1-ium IUPAC Name: 1-(1-adamantyl)-4-(4-methylphenyl)sulfonylpiperazin-1-ium Traditional Name: 1-(1-adamantyl)-4-tosyl-piperazin-1-ium Formula: C21H31N2O2S+ MolecularWeight: 375.54804

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C21H30N2O2S/c1-16-2-4-20(5-3-16)26(24,25)23-8-6-22(7-9-23)21-13-17-10-18(14-21)12-19(11-17)15-21/h2-5,17-19H,6-15H2,1H3/p+1