N-[4-[3-[4-(2-fluorophenyl)piperazin-1-ium-1-yl]propoxy]-3-methoxy-phenyl]ethanamide

Systemtic Name: N-[4-[3-[4-(2-fluorophenyl)piperazin-1-ium-1-yl]propoxy]-3-methoxy-phenyl]ethanamide Openeye Name: N-[4-[3-[4-(2-fluorophenyl)piperazin-1-ium-1-yl]propoxy]-3-methoxy-phenyl]acetamide CAS Name: N-[4-[3-[4-(2-fluorophenyl)-1-piperazin-1-iumyl]propoxy]-3-methoxyphenyl]acetamide IUPAC Name: N-[4-[3-[4-(2-fluorophenyl)piperazin-1-ium-1-yl]propoxy]-3-methoxyphenyl]acetamide Traditional Name: N-[4-[3-[4-(2-fluorophenyl)piperazin-1-ium-1-yl]propoxy]-3-methoxy-phenyl]acetamide Formula: C22H29FN3O3+ MolecularWeight: 402.482363

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC(=C(C=C1)OCCC[NH+]2CCN(CC2)C3=CC=CC=C3F)OC

Isomeric SMILES

CC(=O)NC1=CC(=C(C=C1)OCCC[NH+]2CCN(CC2)C3=CC=CC=C3F)OC

InChI

InChI=1S/C22H28FN3O3/c1-17(27)24-18-8-9-21(22(16-18)28-2)29-15-5-10-25-11-13-26(14-12-25)20-7-4-3-6-19(20)23/h3-4,6-9,16H,5,10-15H2,1-2H3,(H,24,27)/p+1