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

Systemtic Name: 4-[(E)-2-[4-methoxy-3-(piperidin-1-ium-1-ylmethyl)phenyl]ethenyl]-1-methyl-pyridin-1-ium Openeye Name: 4-[(E)-2-[4-methoxy-3-(piperidin-1-ium-1-ylmethyl)phenyl]vinyl]-1-methyl-pyridin-1-ium CAS Name: 4-[(E)-2-[4-methoxy-3-(1-piperidin-1-iumylmethyl)phenyl]ethenyl]-1-methylpyridin-1-ium IUPAC Name: 4-[(E)-2-[4-methoxy-3-(piperidin-1-ium-1-ylmethyl)phenyl]ethenyl]-1-methylpyridin-1-ium Traditional Name: 4-[(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=C(C=C1)C=CC2=CC(=C(C=C2)OC)C[NH+]3CCCCC3

Isomeric SMILES

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

InChI

InChI=1S/C21H27N2O/c1-22-14-10-18(11-15-22)6-7-19-8-9-21(24-2)20(16-19)17-23-12-4-3-5-13-23/h6-11,14-16H,3-5,12-13,17H2,1-2H3/q+1/p+1/b7-6+