1-(1-adamantyl)-4-(2-methyl-5-propan-2-yl-phenyl)sulfonyl-piperazin-1-ium

Systemtic Name: 1-(1-adamantyl)-4-(2-methyl-5-propan-2-yl-phenyl)sulfonyl-piperazin-1-ium Openeye Name: 1-(1-adamantyl)-4-(5-isopropyl-2-methyl-phenyl)sulfonyl-piperazin-1-ium CAS Name: 1-(1-adamantyl)-4-(2-methyl-5-propan-2-ylphenyl)sulfonylpiperazin-1-ium IUPAC Name: 1-(1-adamantyl)-4-(2-methyl-5-propan-2-ylphenyl)sulfonylpiperazin-1-ium Traditional Name: 1-(1-adamantyl)-4-(5-isopropyl-2-methyl-phenyl)sulfonyl-piperazin-1-ium Formula: C24H37N2O2S+ MolecularWeight: 417.62778

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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