butan-2-yloxycarbonyl-(4-methoxyphenyl)-oxidanylidene-azanium; 1-methylsulfanylpropane

Systemtic Name: butan-2-yloxycarbonyl-(4-methoxyphenyl)-oxidanylidene-azanium; 1-methylsulfanylpropane Openeye Name: (4-methoxyphenyl)-oxo-sec-butoxycarbonyl-ammonium; 1-methylsulfanylpropane CAS Name: [butan-2-yloxy(oxo)methyl]-(4-methoxyphenyl)-oxoammonium; 1-(methylthio)propane IUPAC Name: butan-2-yloxycarbonyl-(4-methoxyphenyl)-oxoazanium; 1-methylsulfanylpropane Traditional Name: keto-(4-methoxyphenyl)-sec-butoxycarbonyl-ammonium; 1-(methylthio)propane Formula: C16H26NO4S+ MolecularWeight: 328.44694

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Descriptors Computed from Structure

Canonical SMILES:

CCCSC.CCC(C)OC(=O)[N+](=O)C1=CC=C(C=C1)OC

Isomeric SMILES

CCCSC.CCC(C)OC(=O)[N+](=O)C1=CC=C(C=C1)OC

InChI

InChI=1S/C12H16NO4.C4H10S/c1-4-9(2)17-12(14)13(15)10-5-7-11(16-3)8-6-10;1-3-4-5-2/h5-9H,4H2,1-3H3;3-4H2,1-2H3/q+1;