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

Systemtic Name: (E)-3-(3-ethoxy-2-methoxy-phenyl)-1-[4-oxidanyl-3-(piperidin-1-ium-1-ylmethyl)phenyl]prop-2-en-1-one Openeye Name: (E)-3-(3-ethoxy-2-methoxy-phenyl)-1-[4-hydroxy-3-(piperidin-1-ium-1-ylmethyl)phenyl]prop-2-en-1-one CAS Name: (E)-3-(3-ethoxy-2-methoxyphenyl)-1-[4-hydroxy-3-(1-piperidin-1-iumylmethyl)phenyl]-2-propen-1-one IUPAC Name: (E)-3-(3-ethoxy-2-methoxyphenyl)-1-[4-hydroxy-3-(piperidin-1-ium-1-ylmethyl)phenyl]prop-2-en-1-one Traditional Name: (E)-3-(3-ethoxy-2-methoxy-phenyl)-1-[4-hydroxy-3-(piperidin-1-ium-1-ylmethyl)phenyl]prop-2-en-1-one Formula: C24H30NO4+ MolecularWeight: 396.4993

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC(=C1OC)C=CC(=O)C2=CC(=C(C=C2)O)C[NH+]3CCCCC3

Isomeric SMILES

CCOC1=CC=CC(=C1OC)/C=C/C(=O)C2=CC(=C(C=C2)O)C[NH+]3CCCCC3

InChI

InChI=1S/C24H29NO4/c1-3-29-23-9-7-8-18(24(23)28-2)10-12-21(26)19-11-13-22(27)20(16-19)17-25-14-5-4-6-15-25/h7-13,16,27H,3-6,14-15,17H2,1-2H3/p+1/b12-10+