ethyl 4-[5-[(Z)-(2-piperidin-1-ium-1-ylethanoylhydrazinylidene)methyl]furan-2-yl]benzoate

Systemtic Name: ethyl 4-[5-[(Z)-(2-piperidin-1-ium-1-ylethanoylhydrazinylidene)methyl]furan-2-yl]benzoate Openeye Name: ethyl 4-[5-[(Z)-[(2-piperidin-1-ium-1-ylacetyl)hydrazono]methyl]-2-furyl]benzoate CAS Name: 4-[5-[(Z)-[[1-oxo-2-(1-piperidin-1-iumyl)ethyl]hydrazinylidene]methyl]-2-furanyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[5-[(Z)-[(2-piperidin-1-ium-1-ylacetyl)hydrazinylidene]methyl]furan-2-yl]benzoate Traditional Name: 4-[5-[(Z)-[(2-piperidin-1-ium-1-ylacetyl)hydrazono]methyl]-2-furyl]benzoic acid ethyl ester Formula: C21H26N3O4+ MolecularWeight: 384.44884

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)C2=CC=C(O2)C=NNC(=O)C[NH+]3CCCCC3

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)C2=CC=C(O2)/C=N\NC(=O)C[NH+]3CCCCC3

InChI

InChI=1S/C21H25N3O4/c1-2-27-21(26)17-8-6-16(7-9-17)19-11-10-18(28-19)14-22-23-20(25)15-24-12-4-3-5-13-24/h6-11,14H,2-5,12-13,15H2,1H3,(H,23,25)/p+1/b22-14-