1-(1-adamantyl)-4-(4-methoxy-2,3,5-trimethyl-phenyl)sulfonyl-piperazin-1-ium

Systemtic Name: 1-(1-adamantyl)-4-(4-methoxy-2,3,5-trimethyl-phenyl)sulfonyl-piperazin-1-ium Openeye Name: 1-(1-adamantyl)-4-(4-methoxy-2,3,5-trimethyl-phenyl)sulfonyl-piperazin-1-ium CAS Name: 1-(1-adamantyl)-4-(4-methoxy-2,3,5-trimethylphenyl)sulfonylpiperazin-1-ium IUPAC Name: 1-(1-adamantyl)-4-(4-methoxy-2,3,5-trimethylphenyl)sulfonylpiperazin-1-ium Traditional Name: 1-(1-adamantyl)-4-(4-methoxy-2,3,5-trimethyl-phenyl)sulfonyl-piperazin-1-ium Formula: C24H37N2O3S+ MolecularWeight: 433.62718

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1OC)C)C)S(=O)(=O)N2CC[NH+](CC2)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CC1=CC(=C(C(=C1OC)C)C)S(=O)(=O)N2CC[NH+](CC2)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C24H36N2O3S/c1-16-9-22(17(2)18(3)23(16)29-4)30(27,28)26-7-5-25(6-8-26)24-13-19-10-20(14-24)12-21(11-19)15-24/h9,19-21H,5-8,10-15H2,1-4H3/p+1