1-(1-adamantyl)-4-(4-tert-butylphenyl)sulfonyl-piperazin-1-ium

Systemtic Name: 1-(1-adamantyl)-4-(4-tert-butylphenyl)sulfonyl-piperazin-1-ium Openeye Name: 1-(1-adamantyl)-4-(4-tert-butylphenyl)sulfonyl-piperazin-1-ium CAS Name: 1-(1-adamantyl)-4-(4-tert-butylphenyl)sulfonylpiperazin-1-ium IUPAC Name: 1-(1-adamantyl)-4-(4-tert-butylphenyl)sulfonylpiperazin-1-ium Traditional Name: 1-(1-adamantyl)-4-(4-tert-butylphenyl)sulfonyl-piperazin-1-ium Formula: C24H37N2O2S+ MolecularWeight: 417.62778

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H36N2O2S/c1-23(2,3)21-4-6-22(7-5-21)29(27,28)26-10-8-25(9-11-26)24-15-18-12-19(16-24)14-20(13-18)17-24/h4-7,18-20H,8-17H2,1-3H3/p+1