3-[4-(2-fluorophenyl)piperazin-1-ium-1-yl]-N-(2-methoxy-5-methyl-phenyl)propanamide

Systemtic Name: 3-[4-(2-fluorophenyl)piperazin-1-ium-1-yl]-N-(2-methoxy-5-methyl-phenyl)propanamide Openeye Name: 3-[4-(2-fluorophenyl)piperazin-1-ium-1-yl]-N-(2-methoxy-5-methyl-phenyl)propanamide CAS Name: 3-[4-(2-fluorophenyl)-1-piperazin-1-iumyl]-N-(2-methoxy-5-methylphenyl)propanamide IUPAC Name: 3-[4-(2-fluorophenyl)piperazin-1-ium-1-yl]-N-(2-methoxy-5-methylphenyl)propanamide Traditional Name: 3-[4-(2-fluorophenyl)piperazin-1-ium-1-yl]-N-(2-methoxy-5-methyl-phenyl)propionamide Formula: C21H27FN3O2+ MolecularWeight: 372.456383

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC)NC(=O)CC[NH+]2CCN(CC2)C3=CC=CC=C3F

Isomeric SMILES

CC1=CC(=C(C=C1)OC)NC(=O)CC[NH+]2CCN(CC2)C3=CC=CC=C3F

InChI

InChI=1S/C21H26FN3O2/c1-16-7-8-20(27-2)18(15-16)23-21(26)9-10-24-11-13-25(14-12-24)19-6-4-3-5-17(19)22/h3-8,15H,9-14H2,1-2H3,(H,23,26)/p+1