6-[2-[(E)-2-(2,4,5-trimethoxyphenyl)ethenyl]pyridin-1-ium-1-yl]hexan-1-amine

Systemtic Name: 6-[2-[(E)-2-(2,4,5-trimethoxyphenyl)ethenyl]pyridin-1-ium-1-yl]hexan-1-amine Openeye Name: 6-[2-[(E)-2-(2,4,5-trimethoxyphenyl)vinyl]pyridin-1-ium-1-yl]hexan-1-amine CAS Name: 6-[2-[(E)-2-(2,4,5-trimethoxyphenyl)ethenyl]-1-pyridin-1-iumyl]-1-hexanamine IUPAC Name: 6-[2-[(E)-2-(2,4,5-trimethoxyphenyl)ethenyl]pyridin-1-ium-1-yl]hexan-1-amine Traditional Name: 6-[2-[(E)-2-asarylvinyl]pyridin-1-ium-1-yl]hexylamine Formula: C22H31N2O3+ MolecularWeight: 371.49314

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1C=CC2=CC=CC=[N+]2CCCCCCN)OC)OC

Isomeric SMILES

COC1=CC(=C(C=C1/C=C/C2=CC=CC=[N+]2CCCCCCN)OC)OC

InChI

InChI=1S/C22H31N2O3/c1-25-20-17-22(27-3)21(26-2)16-18(20)11-12-19-10-6-9-15-24(19)14-8-5-4-7-13-23/h6,9-12,15-17H,4-5,7-8,13-14,23H2,1-3H3/q+1/b12-11+