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

Systemtic Name: 1-[2-[[(R)-(4-fluorophenyl)-thiophen-2-yl-methyl]amino]-2-oxidanylidene-ethyl]-N-phenyl-piperidin-1-ium-4-carboxamide Openeye Name: 1-[2-[[(R)-(4-fluorophenyl)-(2-thienyl)methyl]amino]-2-oxo-ethyl]-N-phenyl-piperidin-1-ium-4-carboxamide CAS Name: 1-[2-[[(R)-(4-fluorophenyl)-thiophen-2-ylmethyl]amino]-2-oxoethyl]-N-phenyl-4-piperidin-1-iumcarboxamide IUPAC Name: 1-[2-[[(R)-(4-fluorophenyl)-thiophen-2-ylmethyl]amino]-2-oxoethyl]-N-phenylpiperidin-1-ium-4-carboxamide Traditional Name: 1-[2-[[(R)-(4-fluorophenyl)-(2-thienyl)methyl]amino]-2-keto-ethyl]-N-phenyl-piperidin-1-ium-4-carboxamide Formula: C25H27FN3O2S+ MolecularWeight: 452.564183

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1C(=O)NC2=CC=CC=C2)CC(=O)NC(C3=CC=C(C=C3)F)C4=CC=CS4

Isomeric SMILES

C1C[NH+](CCC1C(=O)NC2=CC=CC=C2)CC(=O)N[C@H](C3=CC=C(C=C3)F)C4=CC=CS4

InChI

InChI=1S/C25H26FN3O2S/c26-20-10-8-18(9-11-20)24(22-7-4-16-32-22)28-23(30)17-29-14-12-19(13-15-29)25(31)27-21-5-2-1-3-6-21/h1-11,16,19,24H,12-15,17H2,(H,27,31)(H,28,30)/p+1/t24-/m1/s1