[2-acetyloxy-3-(4-chloranyl-1-methyl-piperazin-1-ium-1-yl)carbonyl-phenyl] ethanoate

Systemtic Name: [2-acetyloxy-3-(4-chloranyl-1-methyl-piperazin-1-ium-1-yl)carbonyl-phenyl] ethanoate Openeye Name: [2-acetoxy-3-(4-chloro-1-methyl-piperazin-1-ium-1-carbonyl)phenyl] acetate CAS Name: acetic acid [2-acetyloxy-3-[(4-chloro-1-methyl-1-piperazin-1-iumyl)-oxomethyl]phenyl] ester IUPAC Name: [2-acetyloxy-3-(4-chloro-1-methylpiperazin-1-ium-1-carbonyl)phenyl] acetate Traditional Name: acetic acid [2-acetoxy-3-(4-chloro-1-methyl-piperazin-1-ium-1-carbonyl)phenyl] ester Formula: C16H20ClN2O5+ MolecularWeight: 355.7934

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=CC=CC(=C1OC(=O)C)C(=O)[N+]2(CCN(CC2)Cl)C

Isomeric SMILES

CC(=O)OC1=CC=CC(=C1OC(=O)C)C(=O)[N+]2(CCN(CC2)Cl)C

InChI

InChI=1S/C16H20ClN2O5/c1-11(20)23-14-6-4-5-13(15(14)24-12(2)21)16(22)19(3)9-7-18(17)8-10-19/h4-6H,7-10H2,1-3H3/q+1