N-cyclopropyl-2-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-ium-1-yl]-N-[(2-fluorophenyl)methyl]ethanamide

Systemtic Name: N-cyclopropyl-2-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-ium-1-yl]-N-[(2-fluorophenyl)methyl]ethanamide Openeye Name: N-cyclopropyl-2-[4-(2,3-dihydrobenzofuran-5-ylmethyl)piperazin-1-ium-1-yl]-N-[(2-fluorophenyl)methyl]acetamide CAS Name: N-cyclopropyl-2-[4-(2,3-dihydrobenzofuran-5-ylmethyl)-1-piperazin-1-iumyl]-N-[(2-fluorophenyl)methyl]acetamide IUPAC Name: N-cyclopropyl-2-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-ium-1-yl]-N-[(2-fluorophenyl)methyl]acetamide Traditional Name: 2-[4-(coumaran-5-ylmethyl)piperazin-1-ium-1-yl]-N-cyclopropyl-N-(2-fluorobenzyl)acetamide Formula: C25H31FN3O2+ MolecularWeight: 424.530943

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N(CC2=CC=CC=C2F)C(=O)C[NH+]3CCN(CC3)CC4=CC5=C(C=C4)OCC5

Isomeric SMILES

C1CC1N(CC2=CC=CC=C2F)C(=O)C[NH+]3CCN(CC3)CC4=CC5=C(C=C4)OCC5

InChI

InChI=1S/C25H30FN3O2/c26-23-4-2-1-3-21(23)17-29(22-6-7-22)25(30)18-28-12-10-27(11-13-28)16-19-5-8-24-20(15-19)9-14-31-24/h1-5,8,15,22H,6-7,9-14,16-18H2/p+1