ethyl 3-[(4-aminocarbonylpiperidin-1-ium-1-yl)methyl]-4-fluoranyl-1-benzothiophene-2-carboxylate

Systemtic Name: ethyl 3-[(4-aminocarbonylpiperidin-1-ium-1-yl)methyl]-4-fluoranyl-1-benzothiophene-2-carboxylate Openeye Name: ethyl 3-[(4-carbamoylpiperidin-1-ium-1-yl)methyl]-4-fluoro-benzothiophene-2-carboxylate CAS Name: 3-[(4-carbamoyl-1-piperidin-1-iumyl)methyl]-4-fluoro-1-benzothiophene-2-carboxylic acid ethyl ester IUPAC Name: ethyl 3-[(4-carbamoylpiperidin-1-ium-1-yl)methyl]-4-fluoro-1-benzothiophene-2-carboxylate Traditional Name: 3-[(4-carbamoylpiperidin-1-ium-1-yl)methyl]-4-fluoro-benzothiophene-2-carboxylic acid ethyl ester Formula: C18H22FN2O3S+ MolecularWeight: 365.442283

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(C=CC=C2S1)F)C[NH+]3CCC(CC3)C(=O)N

Isomeric SMILES

CCOC(=O)C1=C(C2=C(C=CC=C2S1)F)C[NH+]3CCC(CC3)C(=O)N

InChI

InChI=1S/C18H21FN2O3S/c1-2-24-18(23)16-12(15-13(19)4-3-5-14(15)25-16)10-21-8-6-11(7-9-21)17(20)22/h3-5,11H,2,6-10H2,1H3,(H2,20,22)/p+1