ethyl 3-[[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-ium-1-yl]methyl]-1-benzofuran-2-carboxylate

Systemtic Name: ethyl 3-[[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-ium-1-yl]methyl]-1-benzofuran-2-carboxylate Openeye Name: ethyl 3-[[4-[(3-methylisoxazol-5-yl)methyl]piperazin-1-ium-1-yl]methyl]benzofuran-2-carboxylate CAS Name: 3-[[4-[(3-methyl-5-isoxazolyl)methyl]-1-piperazin-1-iumyl]methyl]-2-benzofurancarboxylic acid ethyl ester IUPAC Name: ethyl 3-[[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-ium-1-yl]methyl]-1-benzofuran-2-carboxylate Traditional Name: 3-[[4-[(3-methylisoxazol-5-yl)methyl]piperazin-1-ium-1-yl]methyl]coumarilic acid ethyl ester Formula: C21H26N3O4+ MolecularWeight: 384.44884

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=CC=CC=C2O1)C[NH+]3CCN(CC3)CC4=CC(=NO4)C

Isomeric SMILES

CCOC(=O)C1=C(C2=CC=CC=C2O1)C[NH+]3CCN(CC3)CC4=CC(=NO4)C

InChI

InChI=1S/C21H25N3O4/c1-3-26-21(25)20-18(17-6-4-5-7-19(17)27-20)14-24-10-8-23(9-11-24)13-16-12-15(2)22-28-16/h4-7,12H,3,8-11,13-14H2,1-2H3/p+1