1-(2-fluorophenyl)-2,5-dimethyl-N-[(2S)-2-morpholin-4-ium-4-yl-2-thiophen-2-yl-ethyl]pyrrole-3-carboxamide

Systemtic Name: 1-(2-fluorophenyl)-2,5-dimethyl-N-[(2S)-2-morpholin-4-ium-4-yl-2-thiophen-2-yl-ethyl]pyrrole-3-carboxamide Openeye Name: 1-(2-fluorophenyl)-2,5-dimethyl-N-[(2S)-2-morpholin-4-ium-4-yl-2-(2-thienyl)ethyl]pyrrole-3-carboxamide CAS Name: 1-(2-fluorophenyl)-2,5-dimethyl-N-[(2S)-2-(4-morpholin-4-iumyl)-2-thiophen-2-ylethyl]-3-pyrrolecarboxamide IUPAC Name: 1-(2-fluorophenyl)-2,5-dimethyl-N-[(2S)-2-morpholin-4-ium-4-yl-2-thiophen-2-ylethyl]pyrrole-3-carboxamide Traditional Name: 1-(2-fluorophenyl)-2,5-dimethyl-N-[(2S)-2-morpholin-4-ium-4-yl-2-(2-thienyl)ethyl]pyrrole-3-carboxamide Formula: C23H27FN3O2S+ MolecularWeight: 428.542783

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC=CC=C2F)C)C(=O)NCC(C3=CC=CS3)[NH+]4CCOCC4

Isomeric SMILES

CC1=CC(=C(N1C2=CC=CC=C2F)C)C(=O)NC[C@@H](C3=CC=CS3)[NH+]4CCOCC4

InChI

InChI=1S/C23H26FN3O2S/c1-16-14-18(17(2)27(16)20-7-4-3-6-19(20)24)23(28)25-15-21(22-8-5-13-30-22)26-9-11-29-12-10-26/h3-8,13-14,21H,9-12,15H2,1-2H3,(H,25,28)/p+1/t21-/m0/s1