(Z)-3-[2-(3,4-dimethoxyphenyl)ethyl-hept-6-enoyl-amino]-1-ethoxy-1-oxidanyl-3-oxidanylidene-prop-1-ene-2-diazonium

Systemtic Name: (Z)-3-[2-(3,4-dimethoxyphenyl)ethyl-hept-6-enoyl-amino]-1-ethoxy-1-oxidanyl-3-oxidanylidene-prop-1-ene-2-diazonium Openeye Name: (Z)-3-[2-(3,4-dimethoxyphenyl)ethyl-hept-6-enoyl-amino]-1-ethoxy-1-hydroxy-3-oxo-prop-1-ene-2-diazonium CAS Name: (Z)-3-[2-(3,4-dimethoxyphenyl)ethyl-(1-oxohept-6-enyl)amino]-1-ethoxy-1-hydroxy-3-oxo-1-propene-2-diazonium IUPAC Name: (Z)-3-[2-(3,4-dimethoxyphenyl)ethyl-hept-6-enoylamino]-1-ethoxy-1-hydroxy-3-oxoprop-1-ene-2-diazonium Traditional Name: (Z)-1-ethoxy-3-[hept-6-enoyl(homoveratryl)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)CCCCC=C)[N+]#N)O

Isomeric SMILES

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

InChI

InChI=1S/C22H29N3O6/c1-5-7-8-9-10-19(26)25(21(27)20(24-23)22(28)31-6-2)14-13-16-11-12-17(29-3)18(15-16)30-4/h5,11-12,15H,1,6-10,13-14H2,2-4H3/p+1