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

Systemtic Name: (E)-3-(3-ethoxy-4-methoxy-phenyl)-1-[4-oxidanyl-3-(piperidin-1-ium-1-ylmethyl)phenyl]prop-2-en-1-one Openeye Name: (E)-3-(3-ethoxy-4-methoxy-phenyl)-1-[4-hydroxy-3-(piperidin-1-ium-1-ylmethyl)phenyl]prop-2-en-1-one CAS Name: (E)-3-(3-ethoxy-4-methoxyphenyl)-1-[4-hydroxy-3-(1-piperidin-1-iumylmethyl)phenyl]-2-propen-1-one IUPAC Name: (E)-3-(3-ethoxy-4-methoxyphenyl)-1-[4-hydroxy-3-(piperidin-1-ium-1-ylmethyl)phenyl]prop-2-en-1-one Traditional Name: (E)-3-(3-ethoxy-4-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=C(C=CC(=C1)C=CC(=O)C2=CC(=C(C=C2)O)C[NH+]3CCCCC3)OC

Isomeric SMILES

CCOC1=C(C=CC(=C1)/C=C/C(=O)C2=CC(=C(C=C2)O)C[NH+]3CCCCC3)OC

InChI

InChI=1S/C24H29NO4/c1-3-29-24-15-18(8-12-23(24)28-2)7-10-21(26)19-9-11-22(27)20(16-19)17-25-13-5-4-6-14-25/h7-12,15-16,27H,3-6,13-14,17H2,1-2H3/p+1/b10-7+