1-(1-adamantyl)-4-(3,4-dimethylphenyl)sulfonyl-piperazin-1-ium

Systemtic Name: 1-(1-adamantyl)-4-(3,4-dimethylphenyl)sulfonyl-piperazin-1-ium Openeye Name: 1-(1-adamantyl)-4-(3,4-dimethylphenyl)sulfonyl-piperazin-1-ium CAS Name: 1-(1-adamantyl)-4-(3,4-dimethylphenyl)sulfonylpiperazin-1-ium IUPAC Name: 1-(1-adamantyl)-4-(3,4-dimethylphenyl)sulfonylpiperazin-1-ium Traditional Name: 1-(1-adamantyl)-4-(3,4-dimethylphenyl)sulfonyl-piperazin-1-ium Formula: C22H33N2O2S+ MolecularWeight: 389.57462

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H32N2O2S/c1-16-3-4-21(9-17(16)2)27(25,26)24-7-5-23(6-8-24)22-13-18-10-19(14-22)12-20(11-18)15-22/h3-4,9,18-20H,5-8,10-15H2,1-2H3/p+1