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

Systemtic Name: (E)-3-(4-hydroxyphenyl)-1-[4-methoxy-3-(piperidin-1-ium-1-ylmethyl)phenyl]prop-2-en-1-one Openeye Name: (E)-3-(4-hydroxyphenyl)-1-[4-methoxy-3-(piperidin-1-ium-1-ylmethyl)phenyl]prop-2-en-1-one CAS Name: (E)-3-(4-hydroxyphenyl)-1-[4-methoxy-3-(1-piperidin-1-iumylmethyl)phenyl]-2-propen-1-one IUPAC Name: (E)-3-(4-hydroxyphenyl)-1-[4-methoxy-3-(piperidin-1-ium-1-ylmethyl)phenyl]prop-2-en-1-one Traditional Name: (E)-3-(4-hydroxyphenyl)-1-[4-methoxy-3-(piperidin-1-ium-1-ylmethyl)phenyl]prop-2-en-1-one Formula: C22H26NO3+ MolecularWeight: 352.44674

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)C=CC2=CC=C(C=C2)O)C[NH+]3CCCCC3

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)/C=C/C2=CC=C(C=C2)O)C[NH+]3CCCCC3

InChI

InChI=1S/C22H25NO3/c1-26-22-12-8-18(15-19(22)16-23-13-3-2-4-14-23)21(25)11-7-17-5-9-20(24)10-6-17/h5-12,15,24H,2-4,13-14,16H2,1H3/p+1/b11-7+