N-[(S)-(4-fluorophenyl)-thiophen-2-yl-methyl]-1-(pyridin-4-ylmethyl)piperidin-1-ium-4-carboxamide

Systemtic Name: N-[(S)-(4-fluorophenyl)-thiophen-2-yl-methyl]-1-(pyridin-4-ylmethyl)piperidin-1-ium-4-carboxamide Openeye Name: N-[(S)-(4-fluorophenyl)-(2-thienyl)methyl]-1-(4-pyridylmethyl)piperidin-1-ium-4-carboxamide CAS Name: N-[(S)-(4-fluorophenyl)-thiophen-2-ylmethyl]-1-(pyridin-4-ylmethyl)-4-piperidin-1-iumcarboxamide IUPAC Name: N-[(S)-(4-fluorophenyl)-thiophen-2-ylmethyl]-1-(pyridin-4-ylmethyl)piperidin-1-ium-4-carboxamide Traditional Name: N-[(S)-(4-fluorophenyl)-(2-thienyl)methyl]-1-(4-pyridylmethyl)piperidin-1-ium-4-carboxamide Formula: C23H25FN3OS+ MolecularWeight: 410.527503

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1C(=O)NC(C2=CC=C(C=C2)F)C3=CC=CS3)CC4=CC=NC=C4

Isomeric SMILES

C1C[NH+](CCC1C(=O)N[C@@H](C2=CC=C(C=C2)F)C3=CC=CS3)CC4=CC=NC=C4

InChI

InChI=1S/C23H24FN3OS/c24-20-5-3-18(4-6-20)22(21-2-1-15-29-21)26-23(28)19-9-13-27(14-10-19)16-17-7-11-25-12-8-17/h1-8,11-12,15,19,22H,9-10,13-14,16H2,(H,26,28)/p+1/t22-/m0/s1