(2R)-2-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazine-1,4-diium-1-yl]-N-methyl-propanamide

Systemtic Name: (2R)-2-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazine-1,4-diium-1-yl]-N-methyl-propanamide Openeye Name: (2R)-2-[4-(2,3-dihydrobenzofuran-5-ylmethyl)piperazine-1,4-diium-1-yl]-N-methyl-propanamide CAS Name: (2R)-2-[4-(2,3-dihydrobenzofuran-5-ylmethyl)-1-piperazine-1,4-diiumyl]-N-methylpropanamide IUPAC Name: (2R)-2-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazine-1,4-diium-1-yl]-N-methylpropanamide Traditional Name: (2R)-2-[4-(coumaran-5-ylmethyl)piperazine-1,4-diium-1-yl]-N-methyl-propionamide Formula: C17H27N3O2+2 MolecularWeight: 305.41518

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC)[NH+]1CC[NH+](CC1)CC2=CC3=C(C=C2)OCC3

Isomeric SMILES

C[C@H](C(=O)NC)[NH+]1CC[NH+](CC1)CC2=CC3=C(C=C2)OCC3

InChI

InChI=1S/C17H25N3O2/c1-13(17(21)18-2)20-8-6-19(7-9-20)12-14-3-4-16-15(11-14)5-10-22-16/h3-4,11,13H,5-10,12H2,1-2H3,(H,18,21)/p+2/t13-/m1/s1