methyl 4-[(E)-3-oxidanylidene-3-[2-oxidanylidene-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethoxy]prop-1-enyl]benzoate

Systemtic Name: methyl 4-[(E)-3-oxidanylidene-3-[2-oxidanylidene-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethoxy]prop-1-enyl]benzoate Openeye Name: methyl 4-[(E)-3-oxo-3-[2-oxo-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethoxy]prop-1-enyl]benzoate CAS Name: 4-[(E)-3-oxo-3-[2-oxo-2-[4-(2-pyridin-1-iumyl)-1-piperazinyl]ethoxy]prop-1-enyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(E)-3-oxo-3-[2-oxo-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethoxy]prop-1-enyl]benzoate Traditional Name: 4-[(E)-3-keto-3-[2-keto-2-(4-pyridin-1-ium-2-ylpiperazino)ethoxy]prop-1-enyl]benzoic acid methyl ester Formula: C22H24N3O5+ MolecularWeight: 410.44306

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C=CC(=O)OCC(=O)N2CCN(CC2)C3=CC=CC=[NH+]3

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)/C=C/C(=O)OCC(=O)N2CCN(CC2)C3=CC=CC=[NH+]3

InChI

InChI=1S/C22H23N3O5/c1-29-22(28)18-8-5-17(6-9-18)7-10-21(27)30-16-20(26)25-14-12-24(13-15-25)19-4-2-3-11-23-19/h2-11H,12-16H2,1H3/p+1/b10-7+