N-cyclopropyl-N-[(2-fluorophenyl)methyl]-2-[4-(thiophen-2-ylsulfonylamino)piperidin-1-ium-1-yl]ethanamide

Systemtic Name: N-cyclopropyl-N-[(2-fluorophenyl)methyl]-2-[4-(thiophen-2-ylsulfonylamino)piperidin-1-ium-1-yl]ethanamide Openeye Name: N-cyclopropyl-N-[(2-fluorophenyl)methyl]-2-[4-(2-thienylsulfonylamino)piperidin-1-ium-1-yl]acetamide CAS Name: N-cyclopropyl-N-[(2-fluorophenyl)methyl]-2-[4-(thiophen-2-ylsulfonylamino)-1-piperidin-1-iumyl]acetamide IUPAC Name: N-cyclopropyl-N-[(2-fluorophenyl)methyl]-2-[4-(thiophen-2-ylsulfonylamino)piperidin-1-ium-1-yl]acetamide Traditional Name: N-cyclopropyl-N-(2-fluorobenzyl)-2-[4-(2-thienylsulfonylamino)piperidin-1-ium-1-yl]acetamide Formula: C21H27FN3O3S2+ MolecularWeight: 452.585783

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N(CC2=CC=CC=C2F)C(=O)C[NH+]3CCC(CC3)NS(=O)(=O)C4=CC=CS4

Isomeric SMILES

C1CC1N(CC2=CC=CC=C2F)C(=O)C[NH+]3CCC(CC3)NS(=O)(=O)C4=CC=CS4

InChI

InChI=1S/C21H26FN3O3S2/c22-19-5-2-1-4-16(19)14-25(18-7-8-18)20(26)15-24-11-9-17(10-12-24)23-30(27,28)21-6-3-13-29-21/h1-6,13,17-18,23H,7-12,14-15H2/p+1