2-methylpropyl 2-methyl-4-[(4-methylpiperazin-4-ium-1-yl)methyl]-5-oxidanyl-1-benzofuran-3-carboxylate

Systemtic Name: 2-methylpropyl 2-methyl-4-[(4-methylpiperazin-4-ium-1-yl)methyl]-5-oxidanyl-1-benzofuran-3-carboxylate Openeye Name: isobutyl 5-hydroxy-2-methyl-4-[(4-methylpiperazin-4-ium-1-yl)methyl]benzofuran-3-carboxylate CAS Name: 5-hydroxy-2-methyl-4-[(4-methyl-1-piperazin-4-iumyl)methyl]-3-benzofurancarboxylic acid 2-methylpropyl ester IUPAC Name: 2-methylpropyl 5-hydroxy-2-methyl-4-[(4-methylpiperazin-4-ium-1-yl)methyl]-1-benzofuran-3-carboxylate Traditional Name: 5-hydroxy-2-methyl-4-[(4-methylpiperazin-4-ium-1-yl)methyl]benzofuran-3-carboxylic acid isobutyl ester Formula: C20H29N2O4+ MolecularWeight: 361.45526

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(O1)C=CC(=C2CN3CC[NH+](CC3)C)O)C(=O)OCC(C)C

Isomeric SMILES

CC1=C(C2=C(O1)C=CC(=C2CN3CC[NH+](CC3)C)O)C(=O)OCC(C)C

InChI

InChI=1S/C20H28N2O4/c1-13(2)12-25-20(24)18-14(3)26-17-6-5-16(23)15(19(17)18)11-22-9-7-21(4)8-10-22/h5-6,13,23H,7-12H2,1-4H3/p+1