1-(1-adamantyl)-4-(5-methoxy-2,4-dimethyl-phenyl)sulfonyl-piperazin-1-ium

Systemtic Name: 1-(1-adamantyl)-4-(5-methoxy-2,4-dimethyl-phenyl)sulfonyl-piperazin-1-ium Openeye Name: 1-(1-adamantyl)-4-(5-methoxy-2,4-dimethyl-phenyl)sulfonyl-piperazin-1-ium CAS Name: 1-(1-adamantyl)-4-(5-methoxy-2,4-dimethylphenyl)sulfonylpiperazin-1-ium IUPAC Name: 1-(1-adamantyl)-4-(5-methoxy-2,4-dimethylphenyl)sulfonylpiperazin-1-ium Traditional Name: 1-(1-adamantyl)-4-(5-methoxy-2,4-dimethyl-phenyl)sulfonyl-piperazin-1-ium Formula: C23H35N2O3S+ MolecularWeight: 419.6006

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1OC)S(=O)(=O)N2CC[NH+](CC2)C34CC5CC(C3)CC(C5)C4)C

Isomeric SMILES

CC1=CC(=C(C=C1OC)S(=O)(=O)N2CC[NH+](CC2)C34CC5CC(C3)CC(C5)C4)C

InChI

InChI=1S/C23H34N2O3S/c1-16-8-17(2)22(12-21(16)28-3)29(26,27)25-6-4-24(5-7-25)23-13-18-9-19(14-23)11-20(10-18)15-23/h8,12,18-20H,4-7,9-11,13-15H2,1-3H3/p+1