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

Systemtic Name: 4-[(E)-2-(4-hexoxy-3-methoxy-phenyl)ethenyl]-1-methyl-pyridin-1-ium perchlorate Openeye Name: 4-[(E)-2-(4-hexoxy-3-methoxy-phenyl)vinyl]-1-methyl-pyridin-1-ium perchlorate CAS Name: 4-[(E)-2-(4-hexoxy-3-methoxyphenyl)ethenyl]-1-methylpyridin-1-ium perchlorate IUPAC Name: 4-[(E)-2-(4-hexoxy-3-methoxyphenyl)ethenyl]-1-methylpyridin-1-ium perchlorate Traditional Name: 4-[(E)-2-(4-hexoxy-3-methoxy-phenyl)vinyl]-1-methyl-pyridin-1-ium perchlorate Formula: C21H28ClNO6 MolecularWeight: 425.90312

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=C(C=C(C=C1)C=CC2=CC=[N+](C=C2)C)OC.[O-]Cl(=O)(=O)=O

Isomeric SMILES

CCCCCCOC1=C(C=C(C=C1)/C=C/C2=CC=[N+](C=C2)C)OC.[O-]Cl(=O)(=O)=O

InChI

InChI=1S/C21H28NO2.ClHO4/c1-4-5-6-7-16-24-20-11-10-19(17-21(20)23-3)9-8-18-12-14-22(2)15-13-18;2-1(3,4)5/h8-15,17H,4-7,16H2,1-3H3;(H,2,3,4,5)/q+1;/p-1/b9-8+;