(E)-1-(2-hydroxyphenyl)-3-[4-methoxy-3-(morpholin-4-ium-4-ylmethyl)phenyl]prop-2-en-1-one

Systemtic Name: (E)-1-(2-hydroxyphenyl)-3-[4-methoxy-3-(morpholin-4-ium-4-ylmethyl)phenyl]prop-2-en-1-one Openeye Name: (E)-1-(2-hydroxyphenyl)-3-[4-methoxy-3-(morpholin-4-ium-4-ylmethyl)phenyl]prop-2-en-1-one CAS Name: (E)-1-(2-hydroxyphenyl)-3-[4-methoxy-3-(4-morpholin-4-iumylmethyl)phenyl]-2-propen-1-one IUPAC Name: (E)-1-(2-hydroxyphenyl)-3-[4-methoxy-3-(morpholin-4-ium-4-ylmethyl)phenyl]prop-2-en-1-one Traditional Name: (E)-1-(2-hydroxyphenyl)-3-[4-methoxy-3-(morpholin-4-ium-4-ylmethyl)phenyl]prop-2-en-1-one Formula: C21H24NO4+ MolecularWeight: 354.41956

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C=CC(=O)C2=CC=CC=C2O)C[NH+]3CCOCC3

Isomeric SMILES

COC1=C(C=C(C=C1)/C=C/C(=O)C2=CC=CC=C2O)C[NH+]3CCOCC3

InChI

InChI=1S/C21H23NO4/c1-25-21-9-7-16(14-17(21)15-22-10-12-26-13-11-22)6-8-20(24)18-4-2-3-5-19(18)23/h2-9,14,23H,10-13,15H2,1H3/p+1/b8-6+