5-oxidanylidene-5-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-4-ium-1-yl]pentanoate

Systemtic Name: 5-oxidanylidene-5-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-4-ium-1-yl]pentanoate Openeye Name: 5-oxo-5-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-4-ium-1-yl]pentanoate CAS Name: 5-oxo-5-[4-[(2,3,4-trimethoxyphenyl)methyl]-1-piperazin-4-iumyl]pentanoate IUPAC Name: 5-oxo-5-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-4-ium-1-yl]pentanoate Traditional Name: 5-keto-5-[4-(2,3,4-trimethoxybenzyl)piperazin-4-ium-1-yl]valerate Formula: C19H28N2O6 MolecularWeight: 380.43542

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H28N2O6/c1-25-15-8-7-14(18(26-2)19(15)27-3)13-20-9-11-21(12-10-20)16(22)5-4-6-17(23)24/h7-8H,4-6,9-13H2,1-3H3,(H,23,24)