2-(azepan-1-ium-1-yl)ethyl 2-cyclohexyl-2-oxidanyl-2-thiophen-3-yl-ethanoate chloride

Systemtic Name: 2-(azepan-1-ium-1-yl)ethyl 2-cyclohexyl-2-oxidanyl-2-thiophen-3-yl-ethanoate chloride Openeye Name: 2-(azepan-1-ium-1-yl)ethyl 2-cyclohexyl-2-hydroxy-2-(3-thienyl)acetate chloride CAS Name: 2-cyclohexyl-2-hydroxy-2-(3-thiophenyl)acetic acid 2-(1-azepan-1-iumyl)ethyl ester chloride IUPAC Name: 2-(azepan-1-ium-1-yl)ethyl 2-cyclohexyl-2-hydroxy-2-thiophen-3-ylacetate chloride Traditional Name: 2-cyclohexyl-2-hydroxy-2-(3-thienyl)acetic acid 2-(azepan-1-ium-1-yl)ethyl ester chloride Formula: C20H32ClNO3S MolecularWeight: 401.99098

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC[NH+](CC1)CCOC(=O)C(C2CCCCC2)(C3=CSC=C3)O.[Cl-]

Isomeric SMILES

C1CCC[NH+](CC1)CCOC(=O)C(C2CCCCC2)(C3=CSC=C3)O.[Cl-]

InChI

InChI=1S/C20H31NO3S.ClH/c22-19(24-14-13-21-11-6-1-2-7-12-21)20(23,18-10-15-25-16-18)17-8-4-3-5-9-17;/h10,15-17,23H,1-9,11-14H2;1H