2-[(1S)-1-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazine-1,4-diium-1-yl]ethyl]-1H-quinazolin-4-one

Systemtic Name: 2-[(1S)-1-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazine-1,4-diium-1-yl]ethyl]-1H-quinazolin-4-one Openeye Name: 2-[(1S)-1-[4-(2,3-dihydrobenzofuran-5-ylmethyl)piperazine-1,4-diium-1-yl]ethyl]-1H-quinazolin-4-one CAS Name: 2-[(1S)-1-[4-(2,3-dihydrobenzofuran-5-ylmethyl)-1-piperazine-1,4-diiumyl]ethyl]-1H-quinazolin-4-one IUPAC Name: 2-[(1S)-1-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazine-1,4-diium-1-yl]ethyl]-1H-quinazolin-4-one Traditional Name: 2-[(1S)-1-[4-(coumaran-5-ylmethyl)piperazine-1,4-diium-1-yl]ethyl]-1H-quinazolin-4-one Formula: C23H28N4O2+2 MolecularWeight: 392.49402

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C1=NC(=O)C2=CC=CC=C2N1)[NH+]3CC[NH+](CC3)CC4=CC5=C(C=C4)OCC5

Isomeric SMILES

C[C@@H](C1=NC(=O)C2=CC=CC=C2N1)[NH+]3CC[NH+](CC3)CC4=CC5=C(C=C4)OCC5

InChI

InChI=1S/C23H26N4O2/c1-16(22-24-20-5-3-2-4-19(20)23(28)25-22)27-11-9-26(10-12-27)15-17-6-7-21-18(14-17)8-13-29-21/h2-7,14,16H,8-13,15H2,1H3,(H,24,25,28)/p+2/t16-/m0/s1