4-oxidanylidene-4-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-4-ium-1-yl]butanoate

Systemtic Name: 4-oxidanylidene-4-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-4-ium-1-yl]butanoate Openeye Name: 4-oxo-4-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-4-ium-1-yl]butanoate CAS Name: 4-oxo-4-[4-[(2,3,4-trimethoxyphenyl)methyl]-1-piperazin-4-iumyl]butanoate IUPAC Name: 4-oxo-4-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-4-ium-1-yl]butanoate Traditional Name: 4-keto-4-[4-(2,3,4-trimethoxybenzyl)piperazin-4-ium-1-yl]butyrate Formula: C18H26N2O6 MolecularWeight: 366.40884

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C(C=C1)C[NH+]2CCN(CC2)C(=O)CCC(=O)[O-])OC)OC

Isomeric SMILES

COC1=C(C(=C(C=C1)C[NH+]2CCN(CC2)C(=O)CCC(=O)[O-])OC)OC

InChI

InChI=1S/C18H26N2O6/c1-24-14-5-4-13(17(25-2)18(14)26-3)12-19-8-10-20(11-9-19)15(21)6-7-16(22)23/h4-5H,6-12H2,1-3H3,(H,22,23)