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

Systemtic Name: (E)-3-(2-methoxyphenyl)-1-[4-methoxy-3-(pyrrolidin-1-ium-1-ylmethyl)phenyl]prop-2-en-1-one Openeye Name: (E)-3-(2-methoxyphenyl)-1-[4-methoxy-3-(pyrrolidin-1-ium-1-ylmethyl)phenyl]prop-2-en-1-one CAS Name: (E)-3-(2-methoxyphenyl)-1-[4-methoxy-3-(1-pyrrolidin-1-iumylmethyl)phenyl]-2-propen-1-one IUPAC Name: (E)-3-(2-methoxyphenyl)-1-[4-methoxy-3-(pyrrolidin-1-ium-1-ylmethyl)phenyl]prop-2-en-1-one Traditional Name: (E)-3-(2-methoxyphenyl)-1-[4-methoxy-3-(pyrrolidin-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=C2OC)C[NH+]3CCCC3

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)/C=C/C2=CC=CC=C2OC)C[NH+]3CCCC3

InChI

InChI=1S/C22H25NO3/c1-25-21-8-4-3-7-17(21)9-11-20(24)18-10-12-22(26-2)19(15-18)16-23-13-5-6-14-23/h3-4,7-12,15H,5-6,13-14,16H2,1-2H3/p+1/b11-9+