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

Systemtic Name: 2-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazine-1,4-diium-1-yl]-N-methyl-N-[(1R)-1-phenylethyl]ethanamide Openeye Name: 2-[4-(2,3-dihydrobenzofuran-5-ylmethyl)piperazine-1,4-diium-1-yl]-N-methyl-N-[(1R)-1-phenylethyl]acetamide CAS Name: 2-[4-(2,3-dihydrobenzofuran-5-ylmethyl)-1-piperazine-1,4-diiumyl]-N-methyl-N-[(1R)-1-phenylethyl]acetamide IUPAC Name: 2-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazine-1,4-diium-1-yl]-N-methyl-N-[(1R)-1-phenylethyl]acetamide Traditional Name: 2-[4-(coumaran-5-ylmethyl)piperazine-1,4-diium-1-yl]-N-methyl-N-[(1R)-1-phenylethyl]acetamide Formula: C24H33N3O2+2 MolecularWeight: 395.53772

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)N(C)C(=O)C[NH+]2CC[NH+](CC2)CC3=CC4=C(C=C3)OCC4

Isomeric SMILES

C[C@H](C1=CC=CC=C1)N(C)C(=O)C[NH+]2CC[NH+](CC2)CC3=CC4=C(C=C3)OCC4

InChI

InChI=1S/C24H31N3O2/c1-19(21-6-4-3-5-7-21)25(2)24(28)18-27-13-11-26(12-14-27)17-20-8-9-23-22(16-20)10-15-29-23/h3-9,16,19H,10-15,17-18H2,1-2H3/p+2/t19-/m1/s1