3-[4-(6-azaniumylhexanoyloxy)phenyl]propanoate

Systemtic Name: 3-[4-(6-azaniumylhexanoyloxy)phenyl]propanoate Openeye Name: 3-[4-(6-azaniumylhexanoyloxy)phenyl]propanoate CAS Name: 3-[4-(6-ammonio-1-oxohexoxy)phenyl]propanoate IUPAC Name: 3-[4-(6-azaniumylhexanoyloxy)phenyl]propanoate Traditional Name: 3-[4-(6-ammoniohexanoyloxy)phenyl]propionate Formula: C15H21NO4 MolecularWeight: 279.33154

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CCC(=O)[O-])OC(=O)CCCCC[NH3+]

Isomeric SMILES

C1=CC(=CC=C1CCC(=O)[O-])OC(=O)CCCCC[NH3+]

InChI

InChI=1S/C15H21NO4/c16-11-3-1-2-4-15(19)20-13-8-5-12(6-9-13)7-10-14(17)18/h5-6,8-9H,1-4,7,10-11,16H2,(H,17,18)