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4-[3-(azepan-1-ium-1-yl)propoxy]benzoate

4-[3-(azepan-1-ium-1-yl)propoxy]benzoate

Systemtic Name:4-[3-(azepan-1-ium-1-yl)propoxy]benzoate
Openeye Name:4-[3-(azepan-1-ium-1-yl)propoxy]benzoate
CAS Name:4-[3-(1-azepan-1-iumyl)propoxy]benzoate
IUPAC Name:4-[3-(azepan-1-ium-1-yl)propoxy]benzoate
Traditional Name:4-[3-(azepan-1-ium-1-yl)propoxy]benzoate
Formula: C16H23NO3
MolecularWeight: 277.35872
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Descriptors Computed from Structure

Canonical SMILES:

C1CCC[NH+](CC1)CCCOC2=CC=C(C=C2)C(=O)[O-]


Isomeric SMILES

C1CCC[NH+](CC1)CCCOC2=CC=C(C=C2)C(=O)[O-]


InChI

InChI=1S/C16H23NO3/c18-16(19)14-6-8-15(9-7-14)20-13-5-12-17-10-3-1-2-4-11-17/h6-9H,1-5,10-13H2,(H,18,19)


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