N-[[1-[(2-fluorophenyl)methyl]piperidin-1-ium-4-yl]methyl]-N-(2-methoxyethyl)thiophene-3-carboxamide

Systemtic Name: N-[[1-[(2-fluorophenyl)methyl]piperidin-1-ium-4-yl]methyl]-N-(2-methoxyethyl)thiophene-3-carboxamide Openeye Name: N-[[1-[(2-fluorophenyl)methyl]piperidin-1-ium-4-yl]methyl]-N-(2-methoxyethyl)thiophene-3-carboxamide CAS Name: N-[[1-[(2-fluorophenyl)methyl]-4-piperidin-1-iumyl]methyl]-N-(2-methoxyethyl)-3-thiophenecarboxamide IUPAC Name: N-[[1-[(2-fluorophenyl)methyl]piperidin-1-ium-4-yl]methyl]-N-(2-methoxyethyl)thiophene-3-carboxamide Traditional Name: N-[[1-(2-fluorobenzyl)piperidin-1-ium-4-yl]methyl]-N-(2-methoxyethyl)thiophene-3-carboxamide Formula: C21H28FN2O2S+ MolecularWeight: 391.522623

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Descriptors Computed from Structure

Canonical SMILES:

COCCN(CC1CC[NH+](CC1)CC2=CC=CC=C2F)C(=O)C3=CSC=C3

Isomeric SMILES

COCCN(CC1CC[NH+](CC1)CC2=CC=CC=C2F)C(=O)C3=CSC=C3

InChI

InChI=1S/C21H27FN2O2S/c1-26-12-11-24(21(25)19-8-13-27-16-19)14-17-6-9-23(10-7-17)15-18-4-2-3-5-20(18)22/h2-5,8,13,16-17H,6-7,9-12,14-15H2,1H3/p+1