1-[4-[(E)-2-(1-methylpyridin-1-ium-2-yl)ethenyl]phenyl]azepane perchlorate

Systemtic Name: 1-[4-[(E)-2-(1-methylpyridin-1-ium-2-yl)ethenyl]phenyl]azepane perchlorate Openeye Name: 1-[4-[(E)-2-(1-methylpyridin-1-ium-2-yl)vinyl]phenyl]azepane perchlorate CAS Name: 1-[4-[(E)-2-(1-methyl-2-pyridin-1-iumyl)ethenyl]phenyl]azepane perchlorate IUPAC Name: 1-[4-[(E)-2-(1-methylpyridin-1-ium-2-yl)ethenyl]phenyl]azepane perchlorate Traditional Name: 1-[4-[(E)-2-(1-methylpyridin-1-ium-2-yl)vinyl]phenyl]azepane perchlorate Formula: C20H25ClN2O4 MolecularWeight: 392.8765

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CC=CC=C1C=CC2=CC=C(C=C2)N3CCCCCC3.[O-]Cl(=O)(=O)=O

Isomeric SMILES

C[N+]1=CC=CC=C1/C=C/C2=CC=C(C=C2)N3CCCCCC3.[O-]Cl(=O)(=O)=O

InChI

InChI=1S/C20H25N2.ClHO4/c1-21-15-7-4-8-19(21)12-9-18-10-13-20(14-11-18)22-16-5-2-3-6-17-22;2-1(3,4)5/h4,7-15H,2-3,5-6,16-17H2,1H3;(H,2,3,4,5)/q+1;/p-1