methyl 4-[(E)-3-[4-(4-ethylpiperazin-4-ium-1-yl)-3-fluoranyl-phenyl]-3-oxidanylidene-prop-1-enyl]benzoate

Systemtic Name: methyl 4-[(E)-3-[4-(4-ethylpiperazin-4-ium-1-yl)-3-fluoranyl-phenyl]-3-oxidanylidene-prop-1-enyl]benzoate Openeye Name: methyl 4-[(E)-3-[4-(4-ethylpiperazin-4-ium-1-yl)-3-fluoro-phenyl]-3-oxo-prop-1-enyl]benzoate CAS Name: 4-[(E)-3-[4-(4-ethyl-1-piperazin-4-iumyl)-3-fluorophenyl]-3-oxoprop-1-enyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(E)-3-[4-(4-ethylpiperazin-4-ium-1-yl)-3-fluorophenyl]-3-oxoprop-1-enyl]benzoate Traditional Name: 4-[(E)-3-[4-(4-ethylpiperazin-4-ium-1-yl)-3-fluoro-phenyl]-3-keto-prop-1-enyl]benzoic acid methyl ester Formula: C23H26FN2O3+ MolecularWeight: 397.462543

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C2=C(C=C(C=C2)C(=O)C=CC3=CC=C(C=C3)C(=O)OC)F

Isomeric SMILES

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

InChI

InChI=1S/C23H25FN2O3/c1-3-25-12-14-26(15-13-25)21-10-9-19(16-20(21)24)22(27)11-6-17-4-7-18(8-5-17)23(28)29-2/h4-11,16H,3,12-15H2,1-2H3/p+1/b11-6+