3-chloranyl-4-fluoranyl-N-(1-propan-2-ylpiperidin-1-ium-4-yl)-1-benzothiophene-2-carboxamide

Systemtic Name: 3-chloranyl-4-fluoranyl-N-(1-propan-2-ylpiperidin-1-ium-4-yl)-1-benzothiophene-2-carboxamide Openeye Name: 3-chloro-4-fluoro-N-(1-isopropylpiperidin-1-ium-4-yl)benzothiophene-2-carboxamide CAS Name: 3-chloro-4-fluoro-N-(1-propan-2-yl-4-piperidin-1-iumyl)-1-benzothiophene-2-carboxamide IUPAC Name: 3-chloro-4-fluoro-N-(1-propan-2-ylpiperidin-1-ium-4-yl)-1-benzothiophene-2-carboxamide Traditional Name: 3-chloro-4-fluoro-N-(1-isopropylpiperidin-1-ium-4-yl)benzothiophene-2-carboxamide Formula: C17H21ClFN2OS+ MolecularWeight: 355.877843

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)[NH+]1CCC(CC1)NC(=O)C2=C(C3=C(C=CC=C3S2)F)Cl

Isomeric SMILES

CC(C)[NH+]1CCC(CC1)NC(=O)C2=C(C3=C(C=CC=C3S2)F)Cl

InChI

InChI=1S/C17H20ClFN2OS/c1-10(2)21-8-6-11(7-9-21)20-17(22)16-15(18)14-12(19)4-3-5-13(14)23-16/h3-5,10-11H,6-9H2,1-2H3,(H,20,22)/p+1