2-[(E)-3-(3,5-dimethoxy-4-oxidanyl-phenyl)prop-2-enoyl]oxyethyl-trimethyl-azanium thiocyanate

Systemtic Name: 2-[(E)-3-(3,5-dimethoxy-4-oxidanyl-phenyl)prop-2-enoyl]oxyethyl-trimethyl-azanium thiocyanate Openeye Name: 2-[(E)-3-(4-hydroxy-3,5-dimethoxy-phenyl)prop-2-enoyl]oxyethyl-trimethyl-ammonium thiocyanate CAS Name: 2-[(E)-3-(4-hydroxy-3,5-dimethoxyphenyl)-1-oxoprop-2-enoxy]ethyl-trimethylammonium thiocyanate IUPAC Name: 2-[(E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoyl]oxyethyl-trimethylazanium thiocyanate Traditional Name: 2-[(E)-3-(4-hydroxy-3,5-dimethoxy-phenyl)acryloyl]oxyethyl-trimethyl-ammonium thiocyanate Formula: C17H24N2O5S MolecularWeight: 368.44786

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(C)CCOC(=O)C=CC1=CC(=C(C(=C1)OC)O)OC.C(#N)[S-]

Isomeric SMILES

C[N+](C)(C)CCOC(=O)/C=C/C1=CC(=C(C(=C1)OC)O)OC.C(#N)[S-]

InChI

InChI=1S/C16H23NO5.CHNS/c1-17(2,3)8-9-22-15(18)7-6-12-10-13(20-4)16(19)14(11-12)21-5;2-1-3/h6-7,10-11H,8-9H2,1-5H3;3H