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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C[NH2+]C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C[NH2+]C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C23H33N3O3S/c1-17-2-4-21(5-3-17)30(28,29)26-8-6-25(7-9-26)22(27)16-24-23-13-18-10-19(14-23)12-20(11-18)15-23/h2-5,18-20,24H,6-16H2,1H3/p+1