N-(4-ethoxyphenyl)-1-phenethyl-pyridin-1-ium-3-carboxamide bromide

Systemtic Name: N-(4-ethoxyphenyl)-1-phenethyl-pyridin-1-ium-3-carboxamide bromide Openeye Name: N-(4-ethoxyphenyl)-1-phenethyl-pyridin-1-ium-3-carboxamide bromide CAS Name: N-(4-ethoxyphenyl)-1-phenethyl-3-pyridin-1-iumcarboxamide bromide IUPAC Name: N-(4-ethoxyphenyl)-1-phenethylpyridin-1-ium-3-carboxamide bromide Traditional Name: 1-phenethyl-N-p-phenetyl-pyridin-1-ium-3-carboxamide bromide Formula: C22H23BrN2O2 MolecularWeight: 427.33422

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC(=O)C2=C[N+](=CC=C2)CCC3=CC=CC=C3.[Br-]

Isomeric SMILES

CCOC1=CC=C(C=C1)NC(=O)C2=C[N+](=CC=C2)CCC3=CC=CC=C3.[Br-]

InChI

InChI=1S/C22H22N2O2.BrH/c1-2-26-21-12-10-20(11-13-21)23-22(25)19-9-6-15-24(17-19)16-14-18-7-4-3-5-8-18;/h3-13,15,17H,2,14,16H2,1H3;1H