[1-(2-methoxyphenyl)piperazin-1-ium-1-yl] 2-ethanoylpentanoate

Systemtic Name: [1-(2-methoxyphenyl)piperazin-1-ium-1-yl] 2-ethanoylpentanoate Openeye Name: [1-(2-methoxyphenyl)piperazin-1-ium-1-yl] 2-acetylpentanoate CAS Name: 2-acetylpentanoic acid [1-(2-methoxyphenyl)-1-piperazin-1-iumyl] ester IUPAC Name: [1-(2-methoxyphenyl)piperazin-1-ium-1-yl] 2-acetylpentanoate Traditional Name: 2-acetylvaleric acid [1-(2-methoxyphenyl)piperazin-1-ium-1-yl] ester Formula: C18H27N2O4+ MolecularWeight: 335.41798

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C(=O)C)C(=O)O[N+]1(CCNCC1)C2=CC=CC=C2OC

Isomeric SMILES

CCCC(C(=O)C)C(=O)O[N+]1(CCNCC1)C2=CC=CC=C2OC

InChI

InChI=1S/C18H27N2O4/c1-4-7-15(14(2)21)18(22)24-20(12-10-19-11-13-20)16-8-5-6-9-17(16)23-3/h5-6,8-9,15,19H,4,7,10-13H2,1-3H3/q+1