3-carboxy-7-morpholin-4-ium-4-ylidene-5,6,8,8a-tetrahydrochromen-2-olate

Systemtic Name: 3-carboxy-7-morpholin-4-ium-4-ylidene-5,6,8,8a-tetrahydrochromen-2-olate Openeye Name: 3-carboxy-7-morpholin-4-ium-4-ylidene-5,6,8,8a-tetrahydrochromen-2-olate CAS Name: 3-carboxy-7-(4-morpholin-4-iumylidene)-5,6,8,8a-tetrahydro-1-benzopyran-2-olate IUPAC Name: 3-carboxy-7-morpholin-4-ium-4-ylidene-5,6,8,8a-tetrahydrochromen-2-olate Traditional Name: 3-carboxy-7-morpholin-4-ium-4-ylidene-5,6,8,8a-tetrahydrochromen-2-olate Formula: C14H17NO5 MolecularWeight: 279.28848

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC2=CC(=C(OC2CC1=[N+]3CCOCC3)[O-])C(=O)O

Isomeric SMILES

C1CC2=CC(=C(OC2CC1=[N+]3CCOCC3)[O-])C(=O)O

InChI

InChI=1S/C14H17NO5/c16-13(17)11-7-9-1-2-10(8-12(9)20-14(11)18)15-3-5-19-6-4-15/h7,12H,1-6,8H2,(H-,16,17,18)