2-(azepan-1-ium-1-yl)-1-[(2S)-2-[(4-methoxyphenyl)methyl]morpholin-4-yl]ethanone

Systemtic Name: 2-(azepan-1-ium-1-yl)-1-[(2S)-2-[(4-methoxyphenyl)methyl]morpholin-4-yl]ethanone Openeye Name: 2-(azepan-1-ium-1-yl)-1-[(2S)-2-[(4-methoxyphenyl)methyl]morpholin-4-yl]ethanone CAS Name: 2-(1-azepan-1-iumyl)-1-[(2S)-2-[(4-methoxyphenyl)methyl]-4-morpholinyl]ethanone IUPAC Name: 2-(azepan-1-ium-1-yl)-1-[(2S)-2-[(4-methoxyphenyl)methyl]morpholin-4-yl]ethanone Traditional Name: 2-(azepan-1-ium-1-yl)-1-[(2S)-2-p-anisylmorpholino]ethanone Formula: C20H31N2O3+ MolecularWeight: 347.47174

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CC2CN(CCO2)C(=O)C[NH+]3CCCCCC3

Isomeric SMILES

COC1=CC=C(C=C1)C[C@H]2CN(CCO2)C(=O)C[NH+]3CCCCCC3

InChI

InChI=1S/C20H30N2O3/c1-24-18-8-6-17(7-9-18)14-19-15-22(12-13-25-19)20(23)16-21-10-4-2-3-5-11-21/h6-9,19H,2-5,10-16H2,1H3/p+1/t19-/m0/s1