(E)-3-(3,5-dimethoxyphenyl)-1-[4-methoxy-3-(pyrrolidin-1-ium-1-ylmethyl)phenyl]prop-2-en-1-one

Systemtic Name: (E)-3-(3,5-dimethoxyphenyl)-1-[4-methoxy-3-(pyrrolidin-1-ium-1-ylmethyl)phenyl]prop-2-en-1-one Openeye Name: (E)-3-(3,5-dimethoxyphenyl)-1-[4-methoxy-3-(pyrrolidin-1-ium-1-ylmethyl)phenyl]prop-2-en-1-one CAS Name: (E)-3-(3,5-dimethoxyphenyl)-1-[4-methoxy-3-(1-pyrrolidin-1-iumylmethyl)phenyl]-2-propen-1-one IUPAC Name: (E)-3-(3,5-dimethoxyphenyl)-1-[4-methoxy-3-(pyrrolidin-1-ium-1-ylmethyl)phenyl]prop-2-en-1-one Traditional Name: (E)-3-(3,5-dimethoxyphenyl)-1-[4-methoxy-3-(pyrrolidin-1-ium-1-ylmethyl)phenyl]prop-2-en-1-one Formula: C23H28NO4+ MolecularWeight: 382.47272

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)C=CC2=CC(=CC(=C2)OC)OC)C[NH+]3CCCC3

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)/C=C/C2=CC(=CC(=C2)OC)OC)C[NH+]3CCCC3

InChI

InChI=1S/C23H27NO4/c1-26-20-12-17(13-21(15-20)27-2)6-8-22(25)18-7-9-23(28-3)19(14-18)16-24-10-4-5-11-24/h6-9,12-15H,4-5,10-11,16H2,1-3H3/p+1/b8-6+