N-cyclohexyl-2-methyl-5-oxidanyl-4-[[4-(phenylmethyl)piperazin-1-ium-1-yl]methyl]-1-benzofuran-3-carboxamide

Systemtic Name: N-cyclohexyl-2-methyl-5-oxidanyl-4-[[4-(phenylmethyl)piperazin-1-ium-1-yl]methyl]-1-benzofuran-3-carboxamide Openeye Name: 4-[(4-benzylpiperazin-1-ium-1-yl)methyl]-N-cyclohexyl-5-hydroxy-2-methyl-benzofuran-3-carboxamide CAS Name: N-cyclohexyl-5-hydroxy-2-methyl-4-[[4-(phenylmethyl)-1-piperazin-1-iumyl]methyl]-3-benzofurancarboxamide IUPAC Name: 4-[(4-benzylpiperazin-1-ium-1-yl)methyl]-N-cyclohexyl-5-hydroxy-2-methyl-1-benzofuran-3-carboxamide Traditional Name: 4-[(4-benzylpiperazin-1-ium-1-yl)methyl]-N-cyclohexyl-5-hydroxy-2-methyl-benzofuran-3-carboxamide Formula: C28H36N3O3+ MolecularWeight: 462.60374

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(O1)C=CC(=C2C[NH+]3CCN(CC3)CC4=CC=CC=C4)O)C(=O)NC5CCCCC5

Isomeric SMILES

CC1=C(C2=C(O1)C=CC(=C2C[NH+]3CCN(CC3)CC4=CC=CC=C4)O)C(=O)NC5CCCCC5

InChI

InChI=1S/C28H35N3O3/c1-20-26(28(33)29-22-10-6-3-7-11-22)27-23(24(32)12-13-25(27)34-20)19-31-16-14-30(15-17-31)18-21-8-4-2-5-9-21/h2,4-5,8-9,12-13,22,32H,3,6-7,10-11,14-19H2,1H3,(H,29,33)/p+1