3-[3-(azepan-1-ium-1-ylmethyl)phenoxy]propanoate

Systemtic Name: 3-[3-(azepan-1-ium-1-ylmethyl)phenoxy]propanoate Openeye Name: 3-[3-(azepan-1-ium-1-ylmethyl)phenoxy]propanoate CAS Name: 3-[3-(1-azepan-1-iumylmethyl)phenoxy]propanoate IUPAC Name: 3-[3-(azepan-1-ium-1-ylmethyl)phenoxy]propanoate Traditional Name: 3-[3-(azepan-1-ium-1-ylmethyl)phenoxy]propionate Formula: C16H23NO3 MolecularWeight: 277.35872

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC[NH+](CC1)CC2=CC(=CC=C2)OCCC(=O)[O-]

Isomeric SMILES

C1CCC[NH+](CC1)CC2=CC(=CC=C2)OCCC(=O)[O-]

InChI

InChI=1S/C16H23NO3/c18-16(19)8-11-20-15-7-5-6-14(12-15)13-17-9-3-1-2-4-10-17/h5-7,12H,1-4,8-11,13H2,(H,18,19)