(E)-3-(3-bromanyl-5-ethoxy-4-oxidanyl-phenyl)-1-[4-methoxy-3-(morpholin-4-ium-4-ylmethyl)phenyl]prop-2-en-1-one

Systemtic Name: (E)-3-(3-bromanyl-5-ethoxy-4-oxidanyl-phenyl)-1-[4-methoxy-3-(morpholin-4-ium-4-ylmethyl)phenyl]prop-2-en-1-one Openeye Name: (E)-3-(3-bromo-5-ethoxy-4-hydroxy-phenyl)-1-[4-methoxy-3-(morpholin-4-ium-4-ylmethyl)phenyl]prop-2-en-1-one CAS Name: (E)-3-(3-bromo-5-ethoxy-4-hydroxyphenyl)-1-[4-methoxy-3-(4-morpholin-4-iumylmethyl)phenyl]-2-propen-1-one IUPAC Name: (E)-3-(3-bromo-5-ethoxy-4-hydroxyphenyl)-1-[4-methoxy-3-(morpholin-4-ium-4-ylmethyl)phenyl]prop-2-en-1-one Traditional Name: (E)-3-(3-bromo-5-ethoxy-4-hydroxy-phenyl)-1-[4-methoxy-3-(morpholin-4-ium-4-ylmethyl)phenyl]prop-2-en-1-one Formula: C23H27BrNO5+ MolecularWeight: 477.36818

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)C=CC(=O)C2=CC(=C(C=C2)OC)C[NH+]3CCOCC3)Br)O

Isomeric SMILES

CCOC1=C(C(=CC(=C1)/C=C/C(=O)C2=CC(=C(C=C2)OC)C[NH+]3CCOCC3)Br)O

InChI

InChI=1S/C23H26BrNO5/c1-3-30-22-13-16(12-19(24)23(22)27)4-6-20(26)17-5-7-21(28-2)18(14-17)15-25-8-10-29-11-9-25/h4-7,12-14,27H,3,8-11,15H2,1-2H3/p+1/b6-4+