[(2R)-1-(azepan-1-ium-1-yl)-3-phenoxy-propan-2-yl] ethanoate

Systemtic Name: [(2R)-1-(azepan-1-ium-1-yl)-3-phenoxy-propan-2-yl] ethanoate Openeye Name: [(1R)-1-(azepan-1-ium-1-ylmethyl)-2-phenoxy-ethyl] acetate CAS Name: acetic acid [(2R)-1-(1-azepan-1-iumyl)-3-phenoxypropan-2-yl] ester IUPAC Name: [(2R)-1-(azepan-1-ium-1-yl)-3-phenoxypropan-2-yl] acetate Traditional Name: acetic acid [(1R)-1-(azepan-1-ium-1-ylmethyl)-2-phenoxy-ethyl] ester Formula: C17H26NO3+ MolecularWeight: 292.39324

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC(C[NH+]1CCCCCC1)COC2=CC=CC=C2

Isomeric SMILES

CC(=O)O[C@H](C[NH+]1CCCCCC1)COC2=CC=CC=C2

InChI

InChI=1S/C17H25NO3/c1-15(19)21-17(13-18-11-7-2-3-8-12-18)14-20-16-9-5-4-6-10-16/h4-6,9-10,17H,2-3,7-8,11-14H2,1H3/p+1/t17-/m1/s1