1-[2-[[(S)-(4-fluorophenyl)-thiophen-2-yl-methyl]amino]-2-oxidanylidene-ethyl]piperidin-1-ium-4-carboxamide

Systemtic Name: 1-[2-[[(S)-(4-fluorophenyl)-thiophen-2-yl-methyl]amino]-2-oxidanylidene-ethyl]piperidin-1-ium-4-carboxamide Openeye Name: 1-[2-[[(S)-(4-fluorophenyl)-(2-thienyl)methyl]amino]-2-oxo-ethyl]piperidin-1-ium-4-carboxamide CAS Name: 1-[2-[[(S)-(4-fluorophenyl)-thiophen-2-ylmethyl]amino]-2-oxoethyl]-4-piperidin-1-iumcarboxamide IUPAC Name: 1-[2-[[(S)-(4-fluorophenyl)-thiophen-2-ylmethyl]amino]-2-oxoethyl]piperidin-1-ium-4-carboxamide Traditional Name: 1-[2-[[(S)-(4-fluorophenyl)-(2-thienyl)methyl]amino]-2-keto-ethyl]piperidin-1-ium-4-carboxamide Formula: C19H23FN3O2S+ MolecularWeight: 376.468223

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1C(=O)N)CC(=O)NC(C2=CC=C(C=C2)F)C3=CC=CS3

Isomeric SMILES

C1C[NH+](CCC1C(=O)N)CC(=O)N[C@@H](C2=CC=C(C=C2)F)C3=CC=CS3

InChI

InChI=1S/C19H22FN3O2S/c20-15-5-3-13(4-6-15)18(16-2-1-11-26-16)22-17(24)12-23-9-7-14(8-10-23)19(21)25/h1-6,11,14,18H,7-10,12H2,(H2,21,25)(H,22,24)/p+1/t18-/m0/s1