N-[2-(3,4-dimethoxyphenyl)ethyl]-6-[(4-fluorophenyl)methylamino]pyridin-1-ium-3-carboxamide

Systemtic Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-6-[(4-fluorophenyl)methylamino]pyridin-1-ium-3-carboxamide Openeye Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-6-[(4-fluorophenyl)methylamino]pyridin-1-ium-3-carboxamide CAS Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-6-[(4-fluorophenyl)methylamino]-3-pyridin-1-iumcarboxamide IUPAC Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-6-[(4-fluorophenyl)methylamino]pyridin-1-ium-3-carboxamide Traditional Name: 6-[(4-fluorobenzyl)amino]-N-homoveratryl-pyridin-1-ium-3-carboxamide Formula: C23H25FN3O3+ MolecularWeight: 410.461303

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H24FN3O3/c1-29-20-9-5-16(13-21(20)30-2)11-12-25-23(28)18-6-10-22(27-15-18)26-14-17-3-7-19(24)8-4-17/h3-10,13,15H,11-12,14H2,1-2H3,(H,25,28)(H,26,27)/p+1