N-[[4-(1-adamantylcarbonyl)piperazin-1-ium-1-yl]methyl]-N,4-dimethyl-benzenesulfonamide

Systemtic Name: N-[[4-(1-adamantylcarbonyl)piperazin-1-ium-1-yl]methyl]-N,4-dimethyl-benzenesulfonamide Openeye Name: N-[[4-(adamantane-1-carbonyl)piperazin-1-ium-1-yl]methyl]-N,4-dimethyl-benzenesulfonamide CAS Name: N-[[4-[1-adamantyl(oxo)methyl]-1-piperazin-1-iumyl]methyl]-N,4-dimethylbenzenesulfonamide IUPAC Name: N-[[4-(adamantane-1-carbonyl)piperazin-1-ium-1-yl]methyl]-N,4-dimethylbenzenesulfonamide Traditional Name: N-[[4-(adamantane-1-carbonyl)piperazin-1-ium-1-yl]methyl]-N,4-dimethyl-benzenesulfonamide Formula: C24H36N3O3S+ MolecularWeight: 446.62594

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N(C)C[NH+]2CCN(CC2)C(=O)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N(C)C[NH+]2CCN(CC2)C(=O)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C24H35N3O3S/c1-18-3-5-22(6-4-18)31(29,30)25(2)17-26-7-9-27(10-8-26)23(28)24-14-19-11-20(15-24)13-21(12-19)16-24/h3-6,19-21H,7-17H2,1-2H3/p+1