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

Systemtic Name: 1-(1-adamantyl)-4-(3,4-dimethoxyphenyl)sulfonyl-piperazin-1-ium Openeye Name: 1-(1-adamantyl)-4-(3,4-dimethoxyphenyl)sulfonyl-piperazin-1-ium CAS Name: 1-(1-adamantyl)-4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-ium IUPAC Name: 1-(1-adamantyl)-4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-ium Traditional Name: 1-(1-adamantyl)-4-(3,4-dimethoxyphenyl)sulfonyl-piperazin-1-ium Formula: C22H33N2O4S+ MolecularWeight: 421.57342

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)C34CC5CC(C3)CC(C5)C4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)C34CC5CC(C3)CC(C5)C4)OC

InChI

InChI=1S/C22H32N2O4S/c1-27-20-4-3-19(12-21(20)28-2)29(25,26)24-7-5-23(6-8-24)22-13-16-9-17(14-22)11-18(10-16)15-22/h3-4,12,16-18H,5-11,13-15H2,1-2H3/p+1