2-(azepan-1-ium-1-yl)ethyl 2-thiophen-3-ylethanoate chloride

Systemtic Name: 2-(azepan-1-ium-1-yl)ethyl 2-thiophen-3-ylethanoate chloride Openeye Name: 2-(azepan-1-ium-1-yl)ethyl 2-(3-thienyl)acetate chloride CAS Name: 2-(3-thiophenyl)acetic acid 2-(1-azepan-1-iumyl)ethyl ester chloride IUPAC Name: 2-(azepan-1-ium-1-yl)ethyl 2-thiophen-3-ylacetate chloride Traditional Name: 2-(3-thienyl)acetic acid 2-(azepan-1-ium-1-yl)ethyl ester chloride Formula: C14H22ClNO2S MolecularWeight: 303.84798

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC[NH+](CC1)CCOC(=O)CC2=CSC=C2.[Cl-]

Isomeric SMILES

C1CCC[NH+](CC1)CCOC(=O)CC2=CSC=C2.[Cl-]

InChI

InChI=1S/C14H21NO2S.ClH/c16-14(11-13-5-10-18-12-13)17-9-8-15-6-3-1-2-4-7-15;/h5,10,12H,1-4,6-9,11H2;1H