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

Systemtic Name: 2-[2-(3,4-dimethoxyphenyl)ethylamino]-N-phenethyl-pyridin-1-ium-3-carboxamide Openeye Name: 2-[2-(3,4-dimethoxyphenyl)ethylamino]-N-phenethyl-pyridin-1-ium-3-carboxamide CAS Name: 2-[2-(3,4-dimethoxyphenyl)ethylamino]-N-phenethyl-3-pyridin-1-iumcarboxamide IUPAC Name: 2-[2-(3,4-dimethoxyphenyl)ethylamino]-N-phenethylpyridin-1-ium-3-carboxamide Traditional Name: 2-(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=C(C=CC=[NH+]2)C(=O)NCCC3=CC=CC=C3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCNC2=C(C=CC=[NH+]2)C(=O)NCCC3=CC=CC=C3)OC

InChI

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