4-[(2R)-1-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-4-ium-1-yl]-1-oxidanylidene-propan-2-yl]oxybenzenecarbonitrile

Systemtic Name: 4-[(2R)-1-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-4-ium-1-yl]-1-oxidanylidene-propan-2-yl]oxybenzenecarbonitrile Openeye Name: 4-[(1R)-2-[4-(2,3-dihydrobenzofuran-5-ylmethyl)piperazin-4-ium-1-yl]-1-methyl-2-oxo-ethoxy]benzonitrile CAS Name: 4-[(2R)-1-[4-(2,3-dihydrobenzofuran-5-ylmethyl)-1-piperazin-4-iumyl]-1-oxopropan-2-yl]oxybenzonitrile IUPAC Name: 4-[(2R)-1-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-4-ium-1-yl]-1-oxopropan-2-yl]oxybenzonitrile Traditional Name: 4-[(1R)-2-[4-(coumaran-5-ylmethyl)piperazin-4-ium-1-yl]-2-keto-1-methyl-ethoxy]benzonitrile Formula: C23H26N3O3+ MolecularWeight: 392.47084

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CC[NH+](CC1)CC2=CC3=C(C=C2)OCC3)OC4=CC=C(C=C4)C#N

Isomeric SMILES

C[C@H](C(=O)N1CC[NH+](CC1)CC2=CC3=C(C=C2)OCC3)OC4=CC=C(C=C4)C#N

InChI

InChI=1S/C23H25N3O3/c1-17(29-21-5-2-18(15-24)3-6-21)23(27)26-11-9-25(10-12-26)16-19-4-7-22-20(14-19)8-13-28-22/h2-7,14,17H,8-13,16H2,1H3/p+1/t17-/m1/s1