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

Systemtic Name: 6-[2-(3,4-dimethoxyphenyl)ethylamino]-N-(phenylmethyl)pyridin-1-ium-3-carboxamide Openeye Name: N-benzyl-6-[2-(3,4-dimethoxyphenyl)ethylamino]pyridin-1-ium-3-carboxamide CAS Name: 6-[2-(3,4-dimethoxyphenyl)ethylamino]-N-(phenylmethyl)-3-pyridin-1-iumcarboxamide IUPAC Name: N-benzyl-6-[2-(3,4-dimethoxyphenyl)ethylamino]pyridin-1-ium-3-carboxamide Traditional Name: N-benzyl-6-(homoveratrylamino)pyridin-1-ium-3-carboxamide Formula: C23H26N3O3+ MolecularWeight: 392.47084

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCNC2=[NH+]C=C(C=C2)C(=O)NCC3=CC=CC=C3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCNC2=[NH+]C=C(C=C2)C(=O)NCC3=CC=CC=C3)OC

InChI

InChI=1S/C23H25N3O3/c1-28-20-10-8-17(14-21(20)29-2)12-13-24-22-11-9-19(16-25-22)23(27)26-15-18-6-4-3-5-7-18/h3-11,14,16H,12-13,15H2,1-2H3,(H,24,25)(H,26,27)/p+1