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

Systemtic Name: ethyl 5-bromanyl-3-[(4-methylpiperazine-1,4-diium-1-yl)methyl]-1-benzofuran-2-carboxylate Openeye Name: ethyl 5-bromo-3-[(4-methylpiperazine-1,4-diium-1-yl)methyl]benzofuran-2-carboxylate CAS Name: 5-bromo-3-[(4-methyl-1-piperazine-1,4-diiumyl)methyl]-2-benzofurancarboxylic acid ethyl ester IUPAC Name: ethyl 5-bromo-3-[(4-methylpiperazine-1,4-diium-1-yl)methyl]-1-benzofuran-2-carboxylate Traditional Name: 5-bromo-3-[(4-methylpiperazine-1,4-diium-1-yl)methyl]coumarilic acid ethyl ester Formula: C17H23BrN2O3+2 MolecularWeight: 383.28012

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(O1)C=CC(=C2)Br)C[NH+]3CC[NH+](CC3)C

Isomeric SMILES

CCOC(=O)C1=C(C2=C(O1)C=CC(=C2)Br)C[NH+]3CC[NH+](CC3)C

InChI

InChI=1S/C17H21BrN2O3/c1-3-22-17(21)16-14(11-20-8-6-19(2)7-9-20)13-10-12(18)4-5-15(13)23-16/h4-5,10H,3,6-9,11H2,1-2H3/p+2