1-[3-(azepan-1-ium-1-ylmethyl)-4-methoxy-phenyl]ethanone

Systemtic Name: 1-[3-(azepan-1-ium-1-ylmethyl)-4-methoxy-phenyl]ethanone Openeye Name: 1-[3-(azepan-1-ium-1-ylmethyl)-4-methoxy-phenyl]ethanone CAS Name: 1-[3-(1-azepan-1-iumylmethyl)-4-methoxyphenyl]ethanone IUPAC Name: 1-[3-(azepan-1-ium-1-ylmethyl)-4-methoxyphenyl]ethanone Traditional Name: 1-[3-(azepan-1-ium-1-ylmethyl)-4-methoxy-phenyl]ethanone Formula: C16H24NO2+ MolecularWeight: 262.36726

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=C(C=C1)OC)C[NH+]2CCCCCC2

Isomeric SMILES

CC(=O)C1=CC(=C(C=C1)OC)C[NH+]2CCCCCC2

InChI

InChI=1S/C16H23NO2/c1-13(18)14-7-8-16(19-2)15(11-14)12-17-9-5-3-4-6-10-17/h7-8,11H,3-6,9-10,12H2,1-2H3/p+1