isothiocyanato-bis[(2-methylpropan-2-yl)oxycarbonyl]-(phenylmethyl)azanium

Systemtic Name: isothiocyanato-bis[(2-methylpropan-2-yl)oxycarbonyl]-(phenylmethyl)azanium Openeye Name: benzyl-bis(tert-butoxycarbonyl)-isothiocyanato-ammonium CAS Name: isothiocyanato-bis[(2-methylpropan-2-yl)oxy-oxomethyl]-(phenylmethyl)ammonium IUPAC Name: benzyl-isothiocyanato-bis[(2-methylpropan-2-yl)oxycarbonyl]azanium Traditional Name: benzyl-bis(tert-butoxycarbonyl)-isothiocyanato-ammonium Formula: C18H25N2O4S+ MolecularWeight: 365.4671

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)[N+](CC1=CC=CC=C1)(C(=O)OC(C)(C)C)N=C=S

Isomeric SMILES

CC(C)(C)OC(=O)[N+](CC1=CC=CC=C1)(C(=O)OC(C)(C)C)N=C=S

InChI

InChI=1S/C18H25N2O4S/c1-17(2,3)23-15(21)20(19-13-25,16(22)24-18(4,5)6)12-14-10-8-7-9-11-14/h7-11H,12H2,1-6H3/q+1