1-(2-fluorophenyl)-2,5-dimethyl-N-[1-(phenylmethyl)piperidin-1-ium-4-yl]pyrrole-3-carboxamide

Systemtic Name: 1-(2-fluorophenyl)-2,5-dimethyl-N-[1-(phenylmethyl)piperidin-1-ium-4-yl]pyrrole-3-carboxamide Openeye Name: N-(1-benzylpiperidin-1-ium-4-yl)-1-(2-fluorophenyl)-2,5-dimethyl-pyrrole-3-carboxamide CAS Name: 1-(2-fluorophenyl)-2,5-dimethyl-N-[1-(phenylmethyl)-4-piperidin-1-iumyl]-3-pyrrolecarboxamide IUPAC Name: N-(1-benzylpiperidin-1-ium-4-yl)-1-(2-fluorophenyl)-2,5-dimethylpyrrole-3-carboxamide Traditional Name: N-(1-benzylpiperidin-1-ium-4-yl)-1-(2-fluorophenyl)-2,5-dimethyl-pyrrole-3-carboxamide Formula: C25H29FN3O+ MolecularWeight: 406.515663

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC=CC=C2F)C)C(=O)NC3CC[NH+](CC3)CC4=CC=CC=C4

Isomeric SMILES

CC1=CC(=C(N1C2=CC=CC=C2F)C)C(=O)NC3CC[NH+](CC3)CC4=CC=CC=C4

InChI

InChI=1S/C25H28FN3O/c1-18-16-22(19(2)29(18)24-11-7-6-10-23(24)26)25(30)27-21-12-14-28(15-13-21)17-20-8-4-3-5-9-20/h3-11,16,21H,12-15,17H2,1-2H3,(H,27,30)/p+1