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

Systemtic Name: 1-(1-adamantyl)-4-(3,4-dichlorophenyl)sulfonyl-piperazin-1-ium Openeye Name: 1-(1-adamantyl)-4-(3,4-dichlorophenyl)sulfonyl-piperazin-1-ium CAS Name: 1-(1-adamantyl)-4-(3,4-dichlorophenyl)sulfonylpiperazin-1-ium IUPAC Name: 1-(1-adamantyl)-4-(3,4-dichlorophenyl)sulfonylpiperazin-1-ium Traditional Name: 1-(1-adamantyl)-4-(3,4-dichlorophenyl)sulfonyl-piperazin-1-ium Formula: C20H27Cl2N2O2S+ MolecularWeight: 430.41158

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1C23CC4CC(C2)CC(C4)C3)S(=O)(=O)C5=CC(=C(C=C5)Cl)Cl

Isomeric SMILES

C1CN(CC[NH+]1C23CC4CC(C2)CC(C4)C3)S(=O)(=O)C5=CC(=C(C=C5)Cl)Cl

InChI

InChI=1S/C20H26Cl2N2O2S/c21-18-2-1-17(10-19(18)22)27(25,26)24-5-3-23(4-6-24)20-11-14-7-15(12-20)9-16(8-14)13-20/h1-2,10,14-16H,3-9,11-13H2/p+1