but-1-ynyl-ethanoyl-(4-methoxyphenyl)-propan-2-yloxysulfinyloxy-azanium

Systemtic Name: but-1-ynyl-ethanoyl-(4-methoxyphenyl)-propan-2-yloxysulfinyloxy-azanium Openeye Name: acetyl-but-1-ynyl-isopropoxysulfinyloxy-(4-methoxyphenyl)ammonium CAS Name: acetyl-but-1-ynyl-(4-methoxyphenyl)-propan-2-yloxysulfinyloxyammonium IUPAC Name: acetyl-but-1-ynyl-(4-methoxyphenyl)-propan-2-yloxysulfinyloxyazanium Traditional Name: acetyl-but-1-ynyl-isopropoxysulfinyloxy-(4-methoxyphenyl)ammonium Formula: C16H22NO5S+ MolecularWeight: 340.41458

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Descriptors Computed from Structure

Canonical SMILES:

CCC#C[N+](C1=CC=C(C=C1)OC)(C(=O)C)OS(=O)OC(C)C

Isomeric SMILES

CCC#C[N+](C1=CC=C(C=C1)OC)(C(=O)C)OS(=O)OC(C)C

InChI

InChI=1S/C16H22NO5S/c1-6-7-12-17(14(4)18,22-23(19)21-13(2)3)15-8-10-16(20-5)11-9-15/h8-11,13H,6H2,1-5H3/q+1