1-(1-adamantyl)-4-(2-methoxy-4-methyl-phenyl)sulfonyl-piperazin-1-ium

Systemtic Name: 1-(1-adamantyl)-4-(2-methoxy-4-methyl-phenyl)sulfonyl-piperazin-1-ium Openeye Name: 1-(1-adamantyl)-4-(2-methoxy-4-methyl-phenyl)sulfonyl-piperazin-1-ium CAS Name: 1-(1-adamantyl)-4-(2-methoxy-4-methylphenyl)sulfonylpiperazin-1-ium IUPAC Name: 1-(1-adamantyl)-4-(2-methoxy-4-methylphenyl)sulfonylpiperazin-1-ium Traditional Name: 1-(1-adamantyl)-4-(2-methoxy-4-methyl-phenyl)sulfonyl-piperazin-1-ium Formula: C22H33N2O3S+ MolecularWeight: 405.57402

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H32N2O3S/c1-16-3-4-21(20(9-16)27-2)28(25,26)24-7-5-23(6-8-24)22-13-17-10-18(14-22)12-19(11-17)15-22/h3-4,9,17-19H,5-8,10-15H2,1-2H3/p+1