methyl (2S)-2-(2-chlorophenyl)-2-(4-cyclobutylcarbonylpiperazin-1-ium-1-yl)ethanoate

Systemtic Name: methyl (2S)-2-(2-chlorophenyl)-2-(4-cyclobutylcarbonylpiperazin-1-ium-1-yl)ethanoate Openeye Name: methyl (2S)-2-(2-chlorophenyl)-2-[4-(cyclobutanecarbonyl)piperazin-1-ium-1-yl]acetate CAS Name: (2S)-2-(2-chlorophenyl)-2-[4-[cyclobutyl(oxo)methyl]-1-piperazin-1-iumyl]acetic acid methyl ester IUPAC Name: methyl (2S)-2-(2-chlorophenyl)-2-[4-(cyclobutanecarbonyl)piperazin-1-ium-1-yl]acetate Traditional Name: (2S)-2-(2-chlorophenyl)-2-[4-(cyclobutanecarbonyl)piperazin-1-ium-1-yl]acetic acid methyl ester Formula: C18H24ClN2O3+ MolecularWeight: 351.84776

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(C1=CC=CC=C1Cl)[NH+]2CCN(CC2)C(=O)C3CCC3

Isomeric SMILES

COC(=O)[C@H](C1=CC=CC=C1Cl)[NH+]2CCN(CC2)C(=O)C3CCC3

InChI

InChI=1S/C18H23ClN2O3/c1-24-18(23)16(14-7-2-3-8-15(14)19)20-9-11-21(12-10-20)17(22)13-5-4-6-13/h2-3,7-8,13,16H,4-6,9-12H2,1H3/p+1/t16-/m0/s1