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

Systemtic Name: N-(2-fluorophenyl)-3-[4-[(2-methoxy-5-methyl-phenyl)methyl]piperazin-1-ium-1-yl]propanamide Openeye Name: N-(2-fluorophenyl)-3-[4-[(2-methoxy-5-methyl-phenyl)methyl]piperazin-1-ium-1-yl]propanamide CAS Name: N-(2-fluorophenyl)-3-[4-[(2-methoxy-5-methylphenyl)methyl]-1-piperazin-1-iumyl]propanamide IUPAC Name: N-(2-fluorophenyl)-3-[4-[(2-methoxy-5-methylphenyl)methyl]piperazin-1-ium-1-yl]propanamide Traditional Name: N-(2-fluorophenyl)-3-[4-(2-methoxy-5-methyl-benzyl)piperazin-1-ium-1-yl]propionamide Formula: C22H29FN3O2+ MolecularWeight: 386.482963

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC)CN2CC[NH+](CC2)CCC(=O)NC3=CC=CC=C3F

Isomeric SMILES

CC1=CC(=C(C=C1)OC)CN2CC[NH+](CC2)CCC(=O)NC3=CC=CC=C3F

InChI

InChI=1S/C22H28FN3O2/c1-17-7-8-21(28-2)18(15-17)16-26-13-11-25(12-14-26)10-9-22(27)24-20-6-4-3-5-19(20)23/h3-8,15H,9-14,16H2,1-2H3,(H,24,27)/p+1