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

Systemtic Name: 4-[(E)-2-[4-methoxy-3-(pyrrolidin-1-ium-1-ylmethyl)phenyl]ethenyl]-1-methyl-pyridin-1-ium Openeye Name: 4-[(E)-2-[4-methoxy-3-(pyrrolidin-1-ium-1-ylmethyl)phenyl]vinyl]-1-methyl-pyridin-1-ium CAS Name: 4-[(E)-2-[4-methoxy-3-(1-pyrrolidin-1-iumylmethyl)phenyl]ethenyl]-1-methylpyridin-1-ium IUPAC Name: 4-[(E)-2-[4-methoxy-3-(pyrrolidin-1-ium-1-ylmethyl)phenyl]ethenyl]-1-methylpyridin-1-ium Traditional Name: 4-[(E)-2-[4-methoxy-3-(pyrrolidin-1-ium-1-ylmethyl)phenyl]vinyl]-1-methyl-pyridin-1-ium Formula: C20H26N2O+2 MolecularWeight: 310.43324

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CC=C(C=C1)C=CC2=CC(=C(C=C2)OC)C[NH+]3CCCC3

Isomeric SMILES

C[N+]1=CC=C(C=C1)/C=C/C2=CC(=C(C=C2)OC)C[NH+]3CCCC3

InChI

InChI=1S/C20H25N2O/c1-21-13-9-17(10-14-21)5-6-18-7-8-20(23-2)19(15-18)16-22-11-3-4-12-22/h5-10,13-15H,3-4,11-12,16H2,1-2H3/q+1/p+1/b6-5+