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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25NO3/c1-26-22-11-9-18(15-19(22)16-23-12-3-2-4-13-23)21(25)10-8-17-6-5-7-20(24)14-17/h5-11,14-15,24H,2-4,12-13,16H2,1H3/p+1/b10-8+