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

Systemtic Name: 1-[(2-fluorophenyl)methyl]-3,5-dimethyl-N-(3-morpholin-4-ium-4-ylpropyl)pyrrole-2-carboxamide Openeye Name: 1-[(2-fluorophenyl)methyl]-3,5-dimethyl-N-(3-morpholin-4-ium-4-ylpropyl)pyrrole-2-carboxamide CAS Name: 1-[(2-fluorophenyl)methyl]-3,5-dimethyl-N-[3-(4-morpholin-4-iumyl)propyl]-2-pyrrolecarboxamide IUPAC Name: 1-[(2-fluorophenyl)methyl]-3,5-dimethyl-N-(3-morpholin-4-ium-4-ylpropyl)pyrrole-2-carboxamide Traditional Name: 1-(2-fluorobenzyl)-3,5-dimethyl-N-(3-morpholin-4-ium-4-ylpropyl)pyrrole-2-carboxamide Formula: C21H29FN3O2+ MolecularWeight: 374.472263

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CC2=CC=CC=C2F)C(=O)NCCC[NH+]3CCOCC3)C

Isomeric SMILES

CC1=CC(=C(N1CC2=CC=CC=C2F)C(=O)NCCC[NH+]3CCOCC3)C

InChI

InChI=1S/C21H28FN3O2/c1-16-14-17(2)25(15-18-6-3-4-7-19(18)22)20(16)21(26)23-8-5-9-24-10-12-27-13-11-24/h3-4,6-7,14H,5,8-13,15H2,1-2H3,(H,23,26)/p+1