3-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-ium-1-yl]-N-phenyl-propanamide

Systemtic Name: 3-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-ium-1-yl]-N-phenyl-propanamide Openeye Name: 3-[4-(2,3-dihydrobenzofuran-5-ylmethyl)piperazin-1-ium-1-yl]-N-phenyl-propanamide CAS Name: 3-[4-(2,3-dihydrobenzofuran-5-ylmethyl)-1-piperazin-1-iumyl]-N-phenylpropanamide IUPAC Name: 3-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-ium-1-yl]-N-phenylpropanamide Traditional Name: 3-[4-(coumaran-5-ylmethyl)piperazin-1-ium-1-yl]-N-phenyl-propionamide Formula: C22H28N3O2+ MolecularWeight: 366.47662

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C1C=C(C=C2)CN3CC[NH+](CC3)CCC(=O)NC4=CC=CC=C4

Isomeric SMILES

C1COC2=C1C=C(C=C2)CN3CC[NH+](CC3)CCC(=O)NC4=CC=CC=C4

InChI

InChI=1S/C22H27N3O2/c26-22(23-20-4-2-1-3-5-20)8-10-24-11-13-25(14-12-24)17-18-6-7-21-19(16-18)9-15-27-21/h1-7,16H,8-15,17H2,(H,23,26)/p+1