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

Systemtic Name: (E)-1-[4-methoxy-3-(pyrrolidin-1-ium-1-ylmethyl)phenyl]-3-phenyl-prop-2-en-1-one Openeye Name: (E)-1-[4-methoxy-3-(pyrrolidin-1-ium-1-ylmethyl)phenyl]-3-phenyl-prop-2-en-1-one CAS Name: (E)-1-[4-methoxy-3-(1-pyrrolidin-1-iumylmethyl)phenyl]-3-phenyl-2-propen-1-one IUPAC Name: (E)-1-[4-methoxy-3-(pyrrolidin-1-ium-1-ylmethyl)phenyl]-3-phenylprop-2-en-1-one Traditional Name: (E)-1-[4-methoxy-3-(pyrrolidin-1-ium-1-ylmethyl)phenyl]-3-phenyl-prop-2-en-1-one Formula: C21H24NO2+ MolecularWeight: 322.42076

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23NO2/c1-24-21-12-10-18(15-19(21)16-22-13-5-6-14-22)20(23)11-9-17-7-3-2-4-8-17/h2-4,7-12,15H,5-6,13-14,16H2,1H3/p+1/b11-9+