(4-methylphenyl)-[4-[(4-methylpiperazin-4-ium-1-yl)methyl]-5-oxidanyl-1-benzofuran-3-yl]methanone

Systemtic Name: (4-methylphenyl)-[4-[(4-methylpiperazin-4-ium-1-yl)methyl]-5-oxidanyl-1-benzofuran-3-yl]methanone Openeye Name: [5-hydroxy-4-[(4-methylpiperazin-4-ium-1-yl)methyl]benzofuran-3-yl]-(p-tolyl)methanone CAS Name: [5-hydroxy-4-[(4-methyl-1-piperazin-4-iumyl)methyl]-3-benzofuranyl]-(4-methylphenyl)methanone IUPAC Name: [5-hydroxy-4-[(4-methylpiperazin-4-ium-1-yl)methyl]-1-benzofuran-3-yl]-(4-methylphenyl)methanone Traditional Name: [5-hydroxy-4-[(4-methylpiperazin-4-ium-1-yl)methyl]benzofuran-3-yl]-(p-tolyl)methanone Formula: C22H25N2O3+ MolecularWeight: 365.4455

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)C2=COC3=C2C(=C(C=C3)O)CN4CC[NH+](CC4)C

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)C2=COC3=C2C(=C(C=C3)O)CN4CC[NH+](CC4)C

InChI

InChI=1S/C22H24N2O3/c1-15-3-5-16(6-4-15)22(26)18-14-27-20-8-7-19(25)17(21(18)20)13-24-11-9-23(2)10-12-24/h3-8,14,25H,9-13H2,1-2H3/p+1