propan-2-yl 2-[4-(5-chloranyl-2-methoxy-phenyl)sulfonylpiperazin-1-ium-1-yl]ethanoate

Systemtic Name: propan-2-yl 2-[4-(5-chloranyl-2-methoxy-phenyl)sulfonylpiperazin-1-ium-1-yl]ethanoate Openeye Name: isopropyl 2-[4-(5-chloro-2-methoxy-phenyl)sulfonylpiperazin-1-ium-1-yl]acetate CAS Name: 2-[4-(5-chloro-2-methoxyphenyl)sulfonyl-1-piperazin-1-iumyl]acetic acid propan-2-yl ester IUPAC Name: propan-2-yl 2-[4-(5-chloro-2-methoxyphenyl)sulfonylpiperazin-1-ium-1-yl]acetate Traditional Name: 2-[4-(5-chloro-2-methoxy-phenyl)sulfonylpiperazin-1-ium-1-yl]acetic acid isopropyl ester Formula: C16H24ClN2O5S+ MolecularWeight: 391.89016

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)C[NH+]1CCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)Cl)OC

Isomeric SMILES

CC(C)OC(=O)C[NH+]1CCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)Cl)OC

InChI

InChI=1S/C16H23ClN2O5S/c1-12(2)24-16(20)11-18-6-8-19(9-7-18)25(21,22)15-10-13(17)4-5-14(15)23-3/h4-5,10,12H,6-9,11H2,1-3H3/p+1