3-[2-(3,4-dimethoxyphenyl)ethyl-(3-oxidanidyl-3-oxidanylidene-propyl)azaniumyl]propanoate

Systemtic Name: 3-[2-(3,4-dimethoxyphenyl)ethyl-(3-oxidanidyl-3-oxidanylidene-propyl)azaniumyl]propanoate Openeye Name: 3-[2-(3,4-dimethoxyphenyl)ethyl-(3-oxido-3-oxo-propyl)ammonio]propanoate CAS Name: 3-[2-(3,4-dimethoxyphenyl)ethyl-(3-oxido-3-oxopropyl)ammonio]propanoate IUPAC Name: 3-[2-(3,4-dimethoxyphenyl)ethyl-(3-oxido-3-oxopropyl)azaniumyl]propanoate Traditional Name: 3-[homoveratryl-(3-keto-3-oxido-propyl)ammonio]propionate Formula: C16H22NO6- MolecularWeight: 324.34898

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H23NO6/c1-22-13-4-3-12(11-14(13)23-2)5-8-17(9-6-15(18)19)10-7-16(20)21/h3-4,11H,5-10H2,1-2H3,(H,18,19)(H,20,21)/p-1