N-(3-oxidanylpropyl)-1-phenacyl-pyridin-1-ium-4-carboxamide bromide

Systemtic Name: N-(3-oxidanylpropyl)-1-phenacyl-pyridin-1-ium-4-carboxamide bromide Openeye Name: N-(3-hydroxypropyl)-1-phenacyl-pyridin-1-ium-4-carboxamide bromide CAS Name: N-(3-hydroxypropyl)-1-phenacyl-4-pyridin-1-iumcarboxamide bromide IUPAC Name: N-(3-hydroxypropyl)-1-phenacylpyridin-1-ium-4-carboxamide bromide Traditional Name: N-(3-hydroxypropyl)-1-phenacyl-pyridin-1-ium-4-carboxamide bromide Formula: C17H19BrN2O3 MolecularWeight: 379.24836

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)C[N+]2=CC=C(C=C2)C(=O)NCCCO.[Br-]

Isomeric SMILES

C1=CC=C(C=C1)C(=O)C[N+]2=CC=C(C=C2)C(=O)NCCCO.[Br-]

InChI

InChI=1S/C17H18N2O3.BrH/c20-12-4-9-18-17(22)15-7-10-19(11-8-15)13-16(21)14-5-2-1-3-6-14;/h1-3,5-8,10-11,20H,4,9,12-13H2;1H