6-[2-(3,4-dimethoxyphenyl)ethylamino]-N-phenethyl-pyridin-1-ium-3-carboxamide

Systemtic Name: 6-[2-(3,4-dimethoxyphenyl)ethylamino]-N-phenethyl-pyridin-1-ium-3-carboxamide Openeye Name: 6-[2-(3,4-dimethoxyphenyl)ethylamino]-N-phenethyl-pyridin-1-ium-3-carboxamide CAS Name: 6-[2-(3,4-dimethoxyphenyl)ethylamino]-N-phenethyl-3-pyridin-1-iumcarboxamide IUPAC Name: 6-[2-(3,4-dimethoxyphenyl)ethylamino]-N-phenethylpyridin-1-ium-3-carboxamide Traditional Name: 6-(homoveratrylamino)-N-phenethyl-pyridin-1-ium-3-carboxamide Formula: C24H28N3O3+ MolecularWeight: 406.49742

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCNC2=[NH+]C=C(C=C2)C(=O)NCCC3=CC=CC=C3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCNC2=[NH+]C=C(C=C2)C(=O)NCCC3=CC=CC=C3)OC

InChI

InChI=1S/C24H27N3O3/c1-29-21-10-8-19(16-22(21)30-2)13-14-25-23-11-9-20(17-27-23)24(28)26-15-12-18-6-4-3-5-7-18/h3-11,16-17H,12-15H2,1-2H3,(H,25,27)(H,26,28)/p+1