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

Systemtic Name: 2-methylbutan-2-yl-[2-oxidanylidene-2-[4-(phenylmethyl)sulfonylpiperazin-1-yl]ethyl]azanium Openeye Name: [2-(4-benzylsulfonylpiperazin-1-yl)-2-oxo-ethyl]-(1,1-dimethylpropyl)ammonium CAS Name: 2-methylbutan-2-yl-[2-oxo-2-[4-(phenylmethyl)sulfonyl-1-piperazinyl]ethyl]ammonium IUPAC Name: [2-(4-benzylsulfonylpiperazin-1-yl)-2-oxoethyl]-(2-methylbutan-2-yl)azanium Traditional Name: tert-amyl-[2-(4-benzylsulfonylpiperazino)-2-keto-ethyl]ammonium Formula: C18H30N3O3S+ MolecularWeight: 368.5141

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)[NH2+]CC(=O)N1CCN(CC1)S(=O)(=O)CC2=CC=CC=C2

Isomeric SMILES

CCC(C)(C)[NH2+]CC(=O)N1CCN(CC1)S(=O)(=O)CC2=CC=CC=C2

InChI

InChI=1S/C18H29N3O3S/c1-4-18(2,3)19-14-17(22)20-10-12-21(13-11-20)25(23,24)15-16-8-6-5-7-9-16/h5-9,19H,4,10-15H2,1-3H3/p+1