[2-methoxy-4-[(Z)-(4-methylpiperazin-4-ium-1-yl)iminomethyl]phenyl] 4-fluoranylbenzoate

Systemtic Name: [2-methoxy-4-[(Z)-(4-methylpiperazin-4-ium-1-yl)iminomethyl]phenyl] 4-fluoranylbenzoate Openeye Name: [2-methoxy-4-[(Z)-(4-methylpiperazin-4-ium-1-yl)iminomethyl]phenyl] 4-fluorobenzoate CAS Name: 4-fluorobenzoic acid [2-methoxy-4-[(Z)-(4-methyl-1-piperazin-4-iumyl)iminomethyl]phenyl] ester IUPAC Name: [2-methoxy-4-[(Z)-(4-methylpiperazin-4-ium-1-yl)iminomethyl]phenyl] 4-fluorobenzoate Traditional Name: 4-fluorobenzoic acid [2-methoxy-4-[(Z)-(4-methylpiperazin-4-ium-1-yl)iminomethyl]phenyl] ester Formula: C20H23FN3O3+ MolecularWeight: 372.413323

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)N=CC2=CC(=C(C=C2)OC(=O)C3=CC=C(C=C3)F)OC

Isomeric SMILES

C[NH+]1CCN(CC1)/N=C\C2=CC(=C(C=C2)OC(=O)C3=CC=C(C=C3)F)OC

InChI

InChI=1S/C20H22FN3O3/c1-23-9-11-24(12-10-23)22-14-15-3-8-18(19(13-15)26-2)27-20(25)16-4-6-17(21)7-5-16/h3-8,13-14H,9-12H2,1-2H3/p+1/b22-14-