methyl 5-[[2-ethoxy-4-[(Z)-(4-methylpiperazin-4-ium-1-yl)iminomethyl]phenoxy]methyl]furan-2-carboxylate

Systemtic Name: methyl 5-[[2-ethoxy-4-[(Z)-(4-methylpiperazin-4-ium-1-yl)iminomethyl]phenoxy]methyl]furan-2-carboxylate Openeye Name: methyl 5-[[2-ethoxy-4-[(Z)-(4-methylpiperazin-4-ium-1-yl)iminomethyl]phenoxy]methyl]furan-2-carboxylate CAS Name: 5-[[2-ethoxy-4-[(Z)-(4-methyl-1-piperazin-4-iumyl)iminomethyl]phenoxy]methyl]-2-furancarboxylic acid methyl ester IUPAC Name: methyl 5-[[2-ethoxy-4-[(Z)-(4-methylpiperazin-4-ium-1-yl)iminomethyl]phenoxy]methyl]furan-2-carboxylate Traditional Name: 5-[[2-ethoxy-4-[(Z)-(4-methylpiperazin-4-ium-1-yl)iminomethyl]phenoxy]methyl]furan-2-carboxylic acid methyl ester Formula: C21H28N3O5+ MolecularWeight: 402.46412

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C=NN2CC[NH+](CC2)C)OCC3=CC=C(O3)C(=O)OC

Isomeric SMILES

CCOC1=C(C=CC(=C1)/C=N\N2CC[NH+](CC2)C)OCC3=CC=C(O3)C(=O)OC

InChI

InChI=1S/C21H27N3O5/c1-4-27-20-13-16(14-22-24-11-9-23(2)10-12-24)5-7-18(20)28-15-17-6-8-19(29-17)21(25)26-3/h5-8,13-14H,4,9-12,15H2,1-3H3/p+1/b22-14-