propyl (2S)-2-(azepan-1-ium-1-yl)-2-phenyl-ethanoate

Systemtic Name: propyl (2S)-2-(azepan-1-ium-1-yl)-2-phenyl-ethanoate Openeye Name: propyl (2S)-2-(azepan-1-ium-1-yl)-2-phenyl-acetate CAS Name: (2S)-2-(1-azepan-1-iumyl)-2-phenylacetic acid propyl ester IUPAC Name: propyl (2S)-2-(azepan-1-ium-1-yl)-2-phenylacetate Traditional Name: (2S)-2-(azepan-1-ium-1-yl)-2-phenyl-acetic acid propyl ester Formula: C17H26NO2+ MolecularWeight: 276.39384

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCCOC(=O)[C@H](C1=CC=CC=C1)[NH+]2CCCCCC2

InChI

InChI=1S/C17H25NO2/c1-2-14-20-17(19)16(15-10-6-5-7-11-15)18-12-8-3-4-9-13-18/h5-7,10-11,16H,2-4,8-9,12-14H2,1H3/p+1/t16-/m0/s1