1-[4-(1-adamantyl)phenyl]sulfonyl-4-ethyl-piperazin-4-ium

Systemtic Name: 1-[4-(1-adamantyl)phenyl]sulfonyl-4-ethyl-piperazin-4-ium Openeye Name: 1-[4-(1-adamantyl)phenyl]sulfonyl-4-ethyl-piperazin-4-ium CAS Name: 1-[4-(1-adamantyl)phenyl]sulfonyl-4-ethylpiperazin-4-ium IUPAC Name: 1-[4-(1-adamantyl)phenyl]sulfonyl-4-ethylpiperazin-4-ium Traditional Name: 1-[4-(1-adamantyl)phenyl]sulfonyl-4-ethyl-piperazin-4-ium Formula: C22H33N2O2S+ MolecularWeight: 389.57462

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CC[NH+]1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C34CC5CC(C3)CC(C5)C4

InChI

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