3,4-bis(fluoranyl)morpholin-4-ium; 2-(1-phenylazanylpropyl)benzamide; bromide

Systemtic Name: 3,4-bis(fluoranyl)morpholin-4-ium; 2-(1-phenylazanylpropyl)benzamide; bromide Openeye Name: 2-(1-anilinopropyl)benzamide; 3,4-difluoromorpholin-4-ium; bromide CAS Name: 2-(1-anilinopropyl)benzamide; 3,4-difluoromorpholin-4-ium; bromide IUPAC Name: 2-(1-anilinopropyl)benzamide; 3,4-difluoromorpholin-4-ium; bromide Traditional Name: 2-(1-anilinopropyl)benzamide; 3,4-difluoromorpholin-4-ium; bromide Formula: C20H26BrF2N3O2 MolecularWeight: 458.340146

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC=CC=C1C(=O)N)NC2=CC=CC=C2.C1COCC([NH+]1F)F.[Br-]

Isomeric SMILES

CCC(C1=CC=CC=C1C(=O)N)NC2=CC=CC=C2.C1COCC([NH+]1F)F.[Br-]

InChI

InChI=1S/C16H18N2O.C4H7F2NO.BrH/c1-2-15(18-12-8-4-3-5-9-12)13-10-6-7-11-14(13)16(17)19;5-4-3-8-2-1-7(4)6;/h3-11,15,18H,2H2,1H3,(H2,17,19);4H,1-3H2;1H