butyl-methyl-[(2-methylpropan-2-yl)oxycarbonyl]-[2-(2-methylsulfinylphenyl)piperidin-1-yl]azanium

Systemtic Name: butyl-methyl-[(2-methylpropan-2-yl)oxycarbonyl]-[2-(2-methylsulfinylphenyl)piperidin-1-yl]azanium Openeye Name: tert-butoxycarbonyl-butyl-methyl-[2-(2-methylsulfinylphenyl)-1-piperidyl]ammonium CAS Name: butyl-methyl-[(2-methylpropan-2-yl)oxy-oxomethyl]-[2-(2-methylsulfinylphenyl)-1-piperidinyl]ammonium IUPAC Name: butyl-methyl-[(2-methylpropan-2-yl)oxycarbonyl]-[2-(2-methylsulfinylphenyl)piperidin-1-yl]azanium Traditional Name: tert-butoxycarbonyl-butyl-methyl-[2-(2-methylsulfinylphenyl)piperidino]ammonium Formula: C22H37N2O3S+ MolecularWeight: 409.60578

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[N+](C)(C(=O)OC(C)(C)C)N1CCCCC1C2=CC=CC=C2S(=O)C

Isomeric SMILES

CCCC[N+](C)(C(=O)OC(C)(C)C)N1CCCCC1C2=CC=CC=C2S(=O)C

InChI

InChI=1S/C22H37N2O3S/c1-7-8-17-24(5,21(25)27-22(2,3)4)23-16-12-11-14-19(23)18-13-9-10-15-20(18)28(6)26/h9-10,13,15,19H,7-8,11-12,14,16-17H2,1-6H3/q+1