3-(8-aza-5-azoniaspiro[4.5]decan-8-yl)-1-(3-nitrophenyl)propan-1-one bromide

Systemtic Name: 3-(8-aza-5-azoniaspiro[4.5]decan-8-yl)-1-(3-nitrophenyl)propan-1-one bromide Openeye Name: 3-(8-aza-5-azoniaspiro[4.5]decan-8-yl)-1-(3-nitrophenyl)propan-1-one bromide CAS Name: 3-(8-aza-5-azoniaspiro[4.5]decan-8-yl)-1-(3-nitrophenyl)-1-propanone bromide IUPAC Name: 3-(8-aza-5-azoniaspiro[4.5]decan-8-yl)-1-(3-nitrophenyl)propan-1-one bromide Traditional Name: 3-(8-aza-5-azoniaspiro[4.5]decan-8-yl)-1-(3-nitrophenyl)propan-1-one bromide Formula: C17H24BrN3O3 MolecularWeight: 398.29476

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[N+]2(C1)CCN(CC2)CCC(=O)C3=CC(=CC=C3)[N+](=O)[O-].[Br-]

Isomeric SMILES

C1CC[N+]2(C1)CCN(CC2)CCC(=O)C3=CC(=CC=C3)[N+](=O)[O-].[Br-]

InChI

InChI=1S/C17H24N3O3.BrH/c21-17(15-4-3-5-16(14-15)19(22)23)6-7-18-8-12-20(13-9-18)10-1-2-11-20;/h3-5,14H,1-2,6-13H2;1H/q+1;/p-1