[1-(3-oxidanylidene-3-thiophen-2-yl-propyl)-4-phenyl-piperidin-1-ium-4-yl] propanoate chloride

Systemtic Name: [1-(3-oxidanylidene-3-thiophen-2-yl-propyl)-4-phenyl-piperidin-1-ium-4-yl] propanoate chloride Openeye Name: [1-[3-oxo-3-(2-thienyl)propyl]-4-phenyl-piperidin-1-ium-4-yl] propanoate chloride CAS Name: propanoic acid [1-(3-oxo-3-thiophen-2-ylpropyl)-4-phenyl-4-piperidin-1-iumyl] ester chloride IUPAC Name: [1-(3-oxo-3-thiophen-2-ylpropyl)-4-phenylpiperidin-1-ium-4-yl] propanoate chloride Traditional Name: propionic acid [1-[3-keto-3-(2-thienyl)propyl]-4-phenyl-piperidin-1-ium-4-yl] ester chloride Formula: C21H26ClNO3S MolecularWeight: 407.95404

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)OC1(CC[NH+](CC1)CCC(=O)C2=CC=CS2)C3=CC=CC=C3.[Cl-]

Isomeric SMILES

CCC(=O)OC1(CC[NH+](CC1)CCC(=O)C2=CC=CS2)C3=CC=CC=C3.[Cl-]

InChI

InChI=1S/C21H25NO3S.ClH/c1-2-20(24)25-21(17-7-4-3-5-8-17)11-14-22(15-12-21)13-10-18(23)19-9-6-16-26-19;/h3-9,16H,2,10-15H2,1H3;1H