6-[4-[(E)-2-(2,3,4-trimethoxyphenyl)ethenyl]pyridin-1-ium-1-yl]hexan-1-amine

Systemtic Name: 6-[4-[(E)-2-(2,3,4-trimethoxyphenyl)ethenyl]pyridin-1-ium-1-yl]hexan-1-amine Openeye Name: 6-[4-[(E)-2-(2,3,4-trimethoxyphenyl)vinyl]pyridin-1-ium-1-yl]hexan-1-amine CAS Name: 6-[4-[(E)-2-(2,3,4-trimethoxyphenyl)ethenyl]-1-pyridin-1-iumyl]-1-hexanamine IUPAC Name: 6-[4-[(E)-2-(2,3,4-trimethoxyphenyl)ethenyl]pyridin-1-ium-1-yl]hexan-1-amine Traditional Name: 6-[4-[(E)-2-(2,3,4-trimethoxyphenyl)vinyl]pyridin-1-ium-1-yl]hexylamine Formula: C22H31N2O3+ MolecularWeight: 371.49314

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C(C=C1)C=CC2=CC=[N+](C=C2)CCCCCCN)OC)OC

Isomeric SMILES

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

InChI

InChI=1S/C22H31N2O3/c1-25-20-11-10-19(21(26-2)22(20)27-3)9-8-18-12-16-24(17-13-18)15-7-5-4-6-14-23/h8-13,16-17H,4-7,14-15,23H2,1-3H3/q+1/b9-8+