(5Z)-5-[(1-methyl-3,4-dihydro-2H-azepin-1-ium-5-yl)methylidene]cyclopent-3-ene-1,2,4-triol

Systemtic Name: (5Z)-5-[(1-methyl-3,4-dihydro-2H-azepin-1-ium-5-yl)methylidene]cyclopent-3-ene-1,2,4-triol Openeye Name: (5Z)-5-[(1-methyl-3,4-dihydro-2H-azepin-1-ium-5-yl)methylene]cyclopent-3-ene-1,2,4-triol CAS Name: (5Z)-5-[(1-methyl-3,4-dihydro-2H-azepin-1-ium-5-yl)methylidene]cyclopent-3-ene-1,2,4-triol IUPAC Name: (5Z)-5-[(1-methyl-3,4-dihydro-2H-azepin-1-ium-5-yl)methylidene]cyclopent-3-ene-1,2,4-triol Traditional Name: (5Z)-5-[(1-methyl-3,4-dihydro-2H-azepin-1-ium-5-yl)methylene]cyclopent-3-ene-1,2,4-triol Formula: C13H18NO3+ MolecularWeight: 236.28692

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CC=C(CCC1)C=C2C(C(C=C2O)O)O

Isomeric SMILES

C[N+]1=CC=C(CCC1)/C=C\2/C(C(C=C2O)O)O

InChI

InChI=1S/C13H17NO3/c1-14-5-2-3-9(4-6-14)7-10-11(15)8-12(16)13(10)17/h4,6-8,12-13,16-17H,2-3,5H2,1H3/p+1/b10-7+