2-[(E)-2-[4-methoxy-3-(pyrrolidin-1-ylmethyl)phenyl]ethenyl]-1-methyl-pyridin-1-ium

Systemtic Name: 2-[(E)-2-[4-methoxy-3-(pyrrolidin-1-ylmethyl)phenyl]ethenyl]-1-methyl-pyridin-1-ium Openeye Name: 2-[(E)-2-[4-methoxy-3-(pyrrolidin-1-ylmethyl)phenyl]vinyl]-1-methyl-pyridin-1-ium CAS Name: 2-[(E)-2-[4-methoxy-3-(1-pyrrolidinylmethyl)phenyl]ethenyl]-1-methylpyridin-1-ium IUPAC Name: 2-[(E)-2-[4-methoxy-3-(pyrrolidin-1-ylmethyl)phenyl]ethenyl]-1-methylpyridin-1-ium Traditional Name: 2-[(E)-2-[4-methoxy-3-(pyrrolidinomethyl)phenyl]vinyl]-1-methyl-pyridin-1-ium Formula: C20H25N2O+ MolecularWeight: 309.4253

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CC=CC=C1C=CC2=CC(=C(C=C2)OC)CN3CCCC3

Isomeric SMILES

C[N+]1=CC=CC=C1/C=C/C2=CC(=C(C=C2)OC)CN3CCCC3

InChI

InChI=1S/C20H25N2O/c1-21-12-4-3-7-19(21)10-8-17-9-11-20(23-2)18(15-17)16-22-13-5-6-14-22/h3-4,7-12,15H,5-6,13-14,16H2,1-2H3/q+1/b10-8+