N-[(3S)-1-[(2-fluorophenyl)methyl]piperidin-1-ium-3-yl]-N-methyl-2-propan-2-yl-1,3-thiazole-4-carboxamide

Systemtic Name: N-[(3S)-1-[(2-fluorophenyl)methyl]piperidin-1-ium-3-yl]-N-methyl-2-propan-2-yl-1,3-thiazole-4-carboxamide Openeye Name: N-[(3S)-1-[(2-fluorophenyl)methyl]piperidin-1-ium-3-yl]-2-isopropyl-N-methyl-thiazole-4-carboxamide CAS Name: N-[(3S)-1-[(2-fluorophenyl)methyl]-3-piperidin-1-iumyl]-N-methyl-2-propan-2-yl-4-thiazolecarboxamide IUPAC Name: N-[(3S)-1-[(2-fluorophenyl)methyl]piperidin-1-ium-3-yl]-N-methyl-2-propan-2-yl-1,3-thiazole-4-carboxamide Traditional Name: N-[(3S)-1-(2-fluorobenzyl)piperidin-1-ium-3-yl]-2-isopropyl-N-methyl-thiazole-4-carboxamide Formula: C20H27FN3OS+ MolecularWeight: 376.511283

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=NC(=CS1)C(=O)N(C)C2CCC[NH+](C2)CC3=CC=CC=C3F

Isomeric SMILES

CC(C)C1=NC(=CS1)C(=O)N(C)[C@H]2CCC[NH+](C2)CC3=CC=CC=C3F

InChI

InChI=1S/C20H26FN3OS/c1-14(2)19-22-18(13-26-19)20(25)23(3)16-8-6-10-24(12-16)11-15-7-4-5-9-17(15)21/h4-5,7,9,13-14,16H,6,8,10-12H2,1-3H3/p+1/t16-/m0/s1