4-ethyl-1-[(2-fluorophenyl)methyl]-3,5-dimethyl-N-(2-morpholin-4-ium-4-ylethyl)pyrrole-2-carboxamide

Systemtic Name: 4-ethyl-1-[(2-fluorophenyl)methyl]-3,5-dimethyl-N-(2-morpholin-4-ium-4-ylethyl)pyrrole-2-carboxamide Openeye Name: 4-ethyl-1-[(2-fluorophenyl)methyl]-3,5-dimethyl-N-(2-morpholin-4-ium-4-ylethyl)pyrrole-2-carboxamide CAS Name: 4-ethyl-1-[(2-fluorophenyl)methyl]-3,5-dimethyl-N-[2-(4-morpholin-4-iumyl)ethyl]-2-pyrrolecarboxamide IUPAC Name: 4-ethyl-1-[(2-fluorophenyl)methyl]-3,5-dimethyl-N-(2-morpholin-4-ium-4-ylethyl)pyrrole-2-carboxamide Traditional Name: 4-ethyl-1-(2-fluorobenzyl)-3,5-dimethyl-N-(2-morpholin-4-ium-4-ylethyl)pyrrole-2-carboxamide Formula: C22H31FN3O2+ MolecularWeight: 388.498843

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(N(C(=C1C)C(=O)NCC[NH+]2CCOCC2)CC3=CC=CC=C3F)C

Isomeric SMILES

CCC1=C(N(C(=C1C)C(=O)NCC[NH+]2CCOCC2)CC3=CC=CC=C3F)C

InChI

InChI=1S/C22H30FN3O2/c1-4-19-16(2)21(22(27)24-9-10-25-11-13-28-14-12-25)26(17(19)3)15-18-7-5-6-8-20(18)23/h5-8H,4,9-15H2,1-3H3,(H,24,27)/p+1