(2R)-3-(azepan-1-ium-1-yl)-2-methyl-1-phenyl-propan-1-one

Systemtic Name: (2R)-3-(azepan-1-ium-1-yl)-2-methyl-1-phenyl-propan-1-one Openeye Name: (2R)-3-(azepan-1-ium-1-yl)-2-methyl-1-phenyl-propan-1-one CAS Name: (2R)-3-(1-azepan-1-iumyl)-2-methyl-1-phenyl-1-propanone IUPAC Name: (2R)-3-(azepan-1-ium-1-yl)-2-methyl-1-phenylpropan-1-one Traditional Name: (2R)-3-(azepan-1-ium-1-yl)-2-methyl-1-phenyl-propan-1-one Formula: C16H24NO+ MolecularWeight: 246.36786

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C[C@H](C[NH+]1CCCCCC1)C(=O)C2=CC=CC=C2

InChI

InChI=1S/C16H23NO/c1-14(13-17-11-7-2-3-8-12-17)16(18)15-9-5-4-6-10-15/h4-6,9-10,14H,2-3,7-8,11-13H2,1H3/p+1/t14-/m1/s1