1-(1-adamantyl)-4-(4-propan-2-ylphenyl)sulfonyl-piperazin-1-ium

Systemtic Name: 1-(1-adamantyl)-4-(4-propan-2-ylphenyl)sulfonyl-piperazin-1-ium Openeye Name: 1-(1-adamantyl)-4-(4-isopropylphenyl)sulfonyl-piperazin-1-ium CAS Name: 1-(1-adamantyl)-4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-ium IUPAC Name: 1-(1-adamantyl)-4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-ium Traditional Name: 1-(1-adamantyl)-4-p-cumenylsulfonyl-piperazin-1-ium Formula: C23H35N2O2S+ MolecularWeight: 403.6012

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H34N2O2S/c1-17(2)21-3-5-22(6-4-21)28(26,27)25-9-7-24(8-10-25)23-14-18-11-19(15-23)13-20(12-18)16-23/h3-6,17-20H,7-16H2,1-2H3/p+1