ethyl 4-[5-[(Z)-(4-methylpiperazin-4-ium-1-yl)iminomethyl]furan-2-yl]benzoate

Systemtic Name: ethyl 4-[5-[(Z)-(4-methylpiperazin-4-ium-1-yl)iminomethyl]furan-2-yl]benzoate Openeye Name: ethyl 4-[5-[(Z)-(4-methylpiperazin-4-ium-1-yl)iminomethyl]-2-furyl]benzoate CAS Name: 4-[5-[(Z)-(4-methyl-1-piperazin-4-iumyl)iminomethyl]-2-furanyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[5-[(Z)-(4-methylpiperazin-4-ium-1-yl)iminomethyl]furan-2-yl]benzoate Traditional Name: 4-[5-[(Z)-(4-methylpiperazin-4-ium-1-yl)iminomethyl]-2-furyl]benzoic acid ethyl ester Formula: C19H24N3O3+ MolecularWeight: 342.41216

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)C2=CC=C(O2)C=NN3CC[NH+](CC3)C

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)C2=CC=C(O2)/C=N\N3CC[NH+](CC3)C

InChI

InChI=1S/C19H23N3O3/c1-3-24-19(23)16-6-4-15(5-7-16)18-9-8-17(25-18)14-20-22-12-10-21(2)11-13-22/h4-9,14H,3,10-13H2,1-2H3/p+1/b20-14-