2-[4-(3,5-dimethoxyphenyl)carbonylpiperazin-1-ium-1-yl]ethanoate

Systemtic Name: 2-[4-(3,5-dimethoxyphenyl)carbonylpiperazin-1-ium-1-yl]ethanoate Openeye Name: 2-[4-(3,5-dimethoxybenzoyl)piperazin-1-ium-1-yl]acetate CAS Name: 2-[4-[(3,5-dimethoxyphenyl)-oxomethyl]-1-piperazin-1-iumyl]acetate IUPAC Name: 2-[4-(3,5-dimethoxybenzoyl)piperazin-1-ium-1-yl]acetate Traditional Name: 2-[4-(3,5-dimethoxybenzoyl)piperazin-1-ium-1-yl]acetate Formula: C15H20N2O5 MolecularWeight: 308.3297

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1)C(=O)N2CC[NH+](CC2)CC(=O)[O-])OC

Isomeric SMILES

COC1=CC(=CC(=C1)C(=O)N2CC[NH+](CC2)CC(=O)[O-])OC

InChI

InChI=1S/C15H20N2O5/c1-21-12-7-11(8-13(9-12)22-2)15(20)17-5-3-16(4-6-17)10-14(18)19/h7-9H,3-6,10H2,1-2H3,(H,18,19)