[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-4-ium-1-yl]-(2-methylquinolin-4-yl)methanone

Systemtic Name: [4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-4-ium-1-yl]-(2-methylquinolin-4-yl)methanone Openeye Name: [4-(2,3-dihydrobenzofuran-5-ylmethyl)piperazin-4-ium-1-yl]-(2-methyl-4-quinolyl)methanone CAS Name: [4-(2,3-dihydrobenzofuran-5-ylmethyl)-1-piperazin-4-iumyl]-(2-methyl-4-quinolinyl)methanone IUPAC Name: [4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-4-ium-1-yl]-(2-methylquinolin-4-yl)methanone Traditional Name: [4-(coumaran-5-ylmethyl)piperazin-4-ium-1-yl]-(2-methyl-4-quinolyl)methanone Formula: C24H26N3O2+ MolecularWeight: 388.48214

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=CC=CC=C2C(=C1)C(=O)N3CC[NH+](CC3)CC4=CC5=C(C=C4)OCC5

Isomeric SMILES

CC1=NC2=CC=CC=C2C(=C1)C(=O)N3CC[NH+](CC3)CC4=CC5=C(C=C4)OCC5

InChI

InChI=1S/C24H25N3O2/c1-17-14-21(20-4-2-3-5-22(20)25-17)24(28)27-11-9-26(10-12-27)16-18-6-7-23-19(15-18)8-13-29-23/h2-7,14-15H,8-13,16H2,1H3/p+1