1-[1-(3-aminophenyl)azepan-1-ium-1-yl]propan-2-one

Systemtic Name: 1-[1-(3-aminophenyl)azepan-1-ium-1-yl]propan-2-one Openeye Name: 1-[1-(3-aminophenyl)azepan-1-ium-1-yl]propan-2-one CAS Name: 1-[1-(3-aminophenyl)-1-azepan-1-iumyl]-2-propanone IUPAC Name: 1-[1-(3-aminophenyl)azepan-1-ium-1-yl]propan-2-one Traditional Name: 1-[1-(3-aminophenyl)azepan-1-ium-1-yl]acetone Formula: C15H23N2O+ MolecularWeight: 247.35592

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C[N+]1(CCCCCC1)C2=CC=CC(=C2)N

Isomeric SMILES

CC(=O)C[N+]1(CCCCCC1)C2=CC=CC(=C2)N

InChI

InChI=1S/C15H23N2O/c1-13(18)12-17(9-4-2-3-5-10-17)15-8-6-7-14(16)11-15/h6-8,11H,2-5,9-10,12,16H2,1H3/q+1