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

Systemtic Name: 4-[(E)-2-[4-ethoxy-3-(piperidin-1-ium-1-ylmethyl)phenyl]ethenyl]-1-methyl-pyridin-1-ium Openeye Name: 4-[(E)-2-[4-ethoxy-3-(piperidin-1-ium-1-ylmethyl)phenyl]vinyl]-1-methyl-pyridin-1-ium CAS Name: 4-[(E)-2-[4-ethoxy-3-(1-piperidin-1-iumylmethyl)phenyl]ethenyl]-1-methylpyridin-1-ium IUPAC Name: 4-[(E)-2-[4-ethoxy-3-(piperidin-1-ium-1-ylmethyl)phenyl]ethenyl]-1-methylpyridin-1-ium Traditional Name: 4-[(E)-2-[4-ethoxy-3-(piperidin-1-ium-1-ylmethyl)phenyl]vinyl]-1-methyl-pyridin-1-ium Formula: C22H30N2O+2 MolecularWeight: 338.4864

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C=CC2=CC=[N+](C=C2)C)C[NH+]3CCCCC3

Isomeric SMILES

CCOC1=C(C=C(C=C1)/C=C/C2=CC=[N+](C=C2)C)C[NH+]3CCCCC3

InChI

InChI=1S/C22H29N2O/c1-3-25-22-10-9-20(8-7-19-11-15-23(2)16-12-19)17-21(22)18-24-13-5-4-6-14-24/h7-12,15-17H,3-6,13-14,18H2,1-2H3/q+1/p+1/b8-7+