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

Systemtic Name: ethyl 5-oxidanyl-2-[(4-phenylpiperazin-1-ium-1-yl)methyl]-1-benzofuran-3-carboxylate Openeye Name: ethyl 5-hydroxy-2-[(4-phenylpiperazin-1-ium-1-yl)methyl]benzofuran-3-carboxylate CAS Name: 5-hydroxy-2-[(4-phenyl-1-piperazin-1-iumyl)methyl]-3-benzofurancarboxylic acid ethyl ester IUPAC Name: ethyl 5-hydroxy-2-[(4-phenylpiperazin-1-ium-1-yl)methyl]-1-benzofuran-3-carboxylate Traditional Name: 5-hydroxy-2-[(4-phenylpiperazin-1-ium-1-yl)methyl]benzofuran-3-carboxylic acid ethyl ester Formula: C22H25N2O4+ MolecularWeight: 381.4449

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(OC2=C1C=C(C=C2)O)C[NH+]3CCN(CC3)C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=C(OC2=C1C=C(C=C2)O)C[NH+]3CCN(CC3)C4=CC=CC=C4

InChI

InChI=1S/C22H24N2O4/c1-2-27-22(26)21-18-14-17(25)8-9-19(18)28-20(21)15-23-10-12-24(13-11-23)16-6-4-3-5-7-16/h3-9,14,25H,2,10-13,15H2,1H3/p+1