4-bromanyl-N-(1,4,5,6,7,8-hexahydro-1,3-diazocin-3-ium-2-yl)benzamide

Systemtic Name: 4-bromanyl-N-(1,4,5,6,7,8-hexahydro-1,3-diazocin-3-ium-2-yl)benzamide Openeye Name: 4-bromo-N-(1,4,5,6,7,8-hexahydro-1,3-diazocin-3-ium-2-yl)benzamide CAS Name: 4-bromo-N-(1,4,5,6,7,8-hexahydro-1,3-diazocin-3-ium-2-yl)benzamide IUPAC Name: 4-bromo-N-(1,4,5,6,7,8-hexahydro-1,3-diazocin-3-ium-2-yl)benzamide Traditional Name: 4-bromo-N-(1,4,5,6,7,8-hexahydro-1,3-diazocin-3-ium-2-yl)benzamide Formula: C13H17BrN3O+ MolecularWeight: 311.19758

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Descriptors Computed from Structure

Canonical SMILES:

C1CCNC(=[NH+]CC1)NC(=O)C2=CC=C(C=C2)Br

Isomeric SMILES

C1CCNC(=[NH+]CC1)NC(=O)C2=CC=C(C=C2)Br

InChI

InChI=1S/C13H16BrN3O/c14-11-6-4-10(5-7-11)12(18)17-13-15-8-2-1-3-9-16-13/h4-7H,1-3,8-9H2,(H2,15,16,17,18)/p+1