(Z)-3-[2-(3,4-dimethoxyphenyl)ethyl-(2-methylhex-5-enoyl)amino]-1-ethoxy-1-oxidanyl-3-oxidanylidene-prop-1-ene-2-diazonium

Systemtic Name: (Z)-3-[2-(3,4-dimethoxyphenyl)ethyl-(2-methylhex-5-enoyl)amino]-1-ethoxy-1-oxidanyl-3-oxidanylidene-prop-1-ene-2-diazonium Openeye Name: (Z)-3-[2-(3,4-dimethoxyphenyl)ethyl-(2-methylhex-5-enoyl)amino]-1-ethoxy-1-hydroxy-3-oxo-prop-1-ene-2-diazonium CAS Name: (Z)-3-[2-(3,4-dimethoxyphenyl)ethyl-(2-methyl-1-oxohex-5-enyl)amino]-1-ethoxy-1-hydroxy-3-oxo-1-propene-2-diazonium IUPAC Name: (Z)-3-[2-(3,4-dimethoxyphenyl)ethyl-(2-methylhex-5-enoyl)amino]-1-ethoxy-1-hydroxy-3-oxoprop-1-ene-2-diazonium Traditional Name: (Z)-1-ethoxy-3-[homoveratryl(2-methylhex-5-enoyl)amino]-1-hydroxy-3-keto-prop-1-ene-2-diazonium Formula: C22H30N3O6+ MolecularWeight: 432.4901

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=C(C(=O)N(CCC1=CC(=C(C=C1)OC)OC)C(=O)C(C)CCC=C)[N+]#N)O

Isomeric SMILES

CCO/C(=C(/C(=O)N(CCC1=CC(=C(C=C1)OC)OC)C(=O)C(C)CCC=C)\[N+]#N)/O

InChI

InChI=1S/C22H29N3O6/c1-6-8-9-15(3)20(26)25(21(27)19(24-23)22(28)31-7-2)13-12-16-10-11-17(29-4)18(14-16)30-5/h6,10-11,14-15H,1,7-9,12-13H2,2-5H3/p+1