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

Systemtic Name: 2-[(E)-2-[4-methoxy-3-(piperidin-1-ium-1-ylmethyl)phenyl]ethenyl]-1-methyl-pyridin-1-ium Openeye Name: 2-[(E)-2-[4-methoxy-3-(piperidin-1-ium-1-ylmethyl)phenyl]vinyl]-1-methyl-pyridin-1-ium CAS Name: 2-[(E)-2-[4-methoxy-3-(1-piperidin-1-iumylmethyl)phenyl]ethenyl]-1-methylpyridin-1-ium IUPAC Name: 2-[(E)-2-[4-methoxy-3-(piperidin-1-ium-1-ylmethyl)phenyl]ethenyl]-1-methylpyridin-1-ium Traditional Name: 2-[(E)-2-[4-methoxy-3-(piperidin-1-ium-1-ylmethyl)phenyl]vinyl]-1-methyl-pyridin-1-ium Formula: C21H28N2O+2 MolecularWeight: 324.45982

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CC=CC=C1C=CC2=CC(=C(C=C2)OC)C[NH+]3CCCCC3

Isomeric SMILES

C[N+]1=CC=CC=C1/C=C/C2=CC(=C(C=C2)OC)C[NH+]3CCCCC3

InChI

InChI=1S/C21H27N2O/c1-22-13-7-4-8-20(22)11-9-18-10-12-21(24-2)19(16-18)17-23-14-5-3-6-15-23/h4,7-13,16H,3,5-6,14-15,17H2,1-2H3/q+1/p+1/b11-9+