[2-(2-adamantylamino)-2-oxidanylidene-ethyl] 4-methyl-N-phenyl-piperazin-4-ium-1-carboximidothioate

Systemtic Name: [2-(2-adamantylamino)-2-oxidanylidene-ethyl] 4-methyl-N-phenyl-piperazin-4-ium-1-carboximidothioate Openeye Name: [2-(2-adamantylamino)-2-oxo-ethyl] 4-methyl-N-phenyl-piperazin-4-ium-1-carboximidothioate CAS Name: 4-methyl-N-phenyl-1-piperazin-4-iumcarboximidothioic acid [2-(2-adamantylamino)-2-oxoethyl] ester IUPAC Name: [2-(2-adamantylamino)-2-oxoethyl] 4-methyl-N-phenylpiperazin-4-ium-1-carboximidothioate Traditional Name: 4-methyl-N-phenyl-piperazin-4-ium-1-carboximidothioic acid [2-(2-adamantylamino)-2-keto-ethyl] ester Formula: C24H35N4OS+ MolecularWeight: 427.6259

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C(=NC2=CC=CC=C2)SCC(=O)NC3C4CC5CC(C4)CC3C5

Isomeric SMILES

C[NH+]1CCN(CC1)C(=NC2=CC=CC=C2)SCC(=O)NC3C4CC5CC(C4)CC3C5

InChI

InChI=1S/C24H34N4OS/c1-27-7-9-28(10-8-27)24(25-21-5-3-2-4-6-21)30-16-22(29)26-23-19-12-17-11-18(14-19)15-20(23)13-17/h2-6,17-20,23H,7-16H2,1H3,(H,26,29)/p+1