1-adamantyl-[2-oxidanylidene-2-[4-(phenylmethyl)sulfonylpiperazin-1-yl]ethyl]azanium

Systemtic Name: 1-adamantyl-[2-oxidanylidene-2-[4-(phenylmethyl)sulfonylpiperazin-1-yl]ethyl]azanium Openeye Name: 1-adamantyl-[2-(4-benzylsulfonylpiperazin-1-yl)-2-oxo-ethyl]ammonium CAS Name: 1-adamantyl-[2-oxo-2-[4-(phenylmethyl)sulfonyl-1-piperazinyl]ethyl]ammonium IUPAC Name: 1-adamantyl-[2-(4-benzylsulfonylpiperazin-1-yl)-2-oxoethyl]azanium Traditional Name: 1-adamantyl-[2-(4-benzylsulfonylpiperazino)-2-keto-ethyl]ammonium Formula: C23H34N3O3S+ MolecularWeight: 432.59936

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)C[NH2+]C23CC4CC(C2)CC(C4)C3)S(=O)(=O)CC5=CC=CC=C5

Isomeric SMILES

C1CN(CCN1C(=O)C[NH2+]C23CC4CC(C2)CC(C4)C3)S(=O)(=O)CC5=CC=CC=C5

InChI

InChI=1S/C23H33N3O3S/c27-22(16-24-23-13-19-10-20(14-23)12-21(11-19)15-23)25-6-8-26(9-7-25)30(28,29)17-18-4-2-1-3-5-18/h1-5,19-21,24H,6-17H2/p+1