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

Systemtic Name: 1-[(3-fluorophenyl)methyl]-3,5-dimethyl-N-(2-morpholin-4-ium-4-ylethyl)pyrrole-2-carboxamide Openeye Name: 1-[(3-fluorophenyl)methyl]-3,5-dimethyl-N-(2-morpholin-4-ium-4-ylethyl)pyrrole-2-carboxamide CAS Name: 1-[(3-fluorophenyl)methyl]-3,5-dimethyl-N-[2-(4-morpholin-4-iumyl)ethyl]-2-pyrrolecarboxamide IUPAC Name: 1-[(3-fluorophenyl)methyl]-3,5-dimethyl-N-(2-morpholin-4-ium-4-ylethyl)pyrrole-2-carboxamide Traditional Name: 1-(3-fluorobenzyl)-3,5-dimethyl-N-(2-morpholin-4-ium-4-ylethyl)pyrrole-2-carboxamide Formula: C20H27FN3O2+ MolecularWeight: 360.445683

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CC2=CC(=CC=C2)F)C(=O)NCC[NH+]3CCOCC3)C

Isomeric SMILES

CC1=CC(=C(N1CC2=CC(=CC=C2)F)C(=O)NCC[NH+]3CCOCC3)C

InChI

InChI=1S/C20H26FN3O2/c1-15-12-16(2)24(14-17-4-3-5-18(21)13-17)19(15)20(25)22-6-7-23-8-10-26-11-9-23/h3-5,12-13H,6-11,14H2,1-2H3,(H,22,25)/p+1