4-(1,4-diazepan-1-ium-1-ylmethyl)-3-fluoranyl-benzamide

Systemtic Name: 4-(1,4-diazepan-1-ium-1-ylmethyl)-3-fluoranyl-benzamide Openeye Name: 4-(1,4-diazepan-1-ium-1-ylmethyl)-3-fluoro-benzamide CAS Name: 4-(1,4-diazepan-1-ium-1-ylmethyl)-3-fluorobenzamide IUPAC Name: 4-(1,4-diazepan-1-ium-1-ylmethyl)-3-fluorobenzamide Traditional Name: 4-(1,4-diazepan-1-ium-1-ylmethyl)-3-fluoro-benzamide Formula: C13H19FN3O+ MolecularWeight: 252.307863

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCC[NH+](C1)CC2=C(C=C(C=C2)C(=O)N)F

Isomeric SMILES

C1CNCC[NH+](C1)CC2=C(C=C(C=C2)C(=O)N)F

InChI

InChI=1S/C13H18FN3O/c14-12-8-10(13(15)18)2-3-11(12)9-17-6-1-4-16-5-7-17/h2-3,8,16H,1,4-7,9H2,(H2,15,18)/p+1