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

Systemtic Name: [1-(1-methylazepan-1-ium-1-yl)-3-phenoxy-propan-2-yl] ethanoate Openeye Name: [1-[(1-methylazepan-1-ium-1-yl)methyl]-2-phenoxy-ethyl] acetate CAS Name: acetic acid [1-(1-methyl-1-azepan-1-iumyl)-3-phenoxypropan-2-yl] ester IUPAC Name: [1-(1-methylazepan-1-ium-1-yl)-3-phenoxypropan-2-yl] acetate Traditional Name: acetic acid [1-[(1-methylazepan-1-ium-1-yl)methyl]-2-phenoxy-ethyl] ester Formula: C18H28NO3+ MolecularWeight: 306.41982

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H28NO3/c1-16(20)22-18(15-21-17-10-6-5-7-11-17)14-19(2)12-8-3-4-9-13-19/h5-7,10-11,18H,3-4,8-9,12-15H2,1-2H3/q+1