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

Systemtic Name: 6-[4-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]pyridin-1-ium-1-yl]hexan-1-amine Openeye Name: 6-[4-[(E)-2-(3,4-dimethoxyphenyl)vinyl]pyridin-1-ium-1-yl]hexan-1-amine CAS Name: 6-[4-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-1-pyridin-1-iumyl]-1-hexanamine IUPAC Name: 6-[4-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]pyridin-1-ium-1-yl]hexan-1-amine Traditional Name: 6-[4-[(E)-2-(3,4-dimethoxyphenyl)vinyl]pyridin-1-ium-1-yl]hexylamine Formula: C21H29N2O2+ MolecularWeight: 341.46716

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H29N2O2/c1-24-20-10-9-19(17-21(20)25-2)8-7-18-11-15-23(16-12-18)14-6-4-3-5-13-22/h7-12,15-17H,3-6,13-14,22H2,1-2H3/q+1/b8-7+