methyl 2-methyl-4-[(4-methylpiperazine-1,4-diium-1-yl)methyl]-5-oxidanyl-1-benzofuran-3-carboxylate

Systemtic Name: methyl 2-methyl-4-[(4-methylpiperazine-1,4-diium-1-yl)methyl]-5-oxidanyl-1-benzofuran-3-carboxylate Openeye Name: methyl 5-hydroxy-2-methyl-4-[(4-methylpiperazine-1,4-diium-1-yl)methyl]benzofuran-3-carboxylate CAS Name: 5-hydroxy-2-methyl-4-[(4-methyl-1-piperazine-1,4-diiumyl)methyl]-3-benzofurancarboxylic acid methyl ester IUPAC Name: methyl 5-hydroxy-2-methyl-4-[(4-methylpiperazine-1,4-diium-1-yl)methyl]-1-benzofuran-3-carboxylate Traditional Name: 5-hydroxy-2-methyl-4-[(4-methylpiperazine-1,4-diium-1-yl)methyl]benzofuran-3-carboxylic acid methyl ester Formula: C17H24N2O4+2 MolecularWeight: 320.38346

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(O1)C=CC(=C2C[NH+]3CC[NH+](CC3)C)O)C(=O)OC

Isomeric SMILES

CC1=C(C2=C(O1)C=CC(=C2C[NH+]3CC[NH+](CC3)C)O)C(=O)OC

InChI

InChI=1S/C17H22N2O4/c1-11-15(17(21)22-3)16-12(13(20)4-5-14(16)23-11)10-19-8-6-18(2)7-9-19/h4-5,20H,6-10H2,1-3H3/p+2