[2-oxidanylidene-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethyl] (E)-3-(3,4-dichlorophenyl)prop-2-enoate

Systemtic Name: [2-oxidanylidene-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethyl] (E)-3-(3,4-dichlorophenyl)prop-2-enoate Openeye Name: [2-oxo-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethyl] (E)-3-(3,4-dichlorophenyl)prop-2-enoate CAS Name: (E)-3-(3,4-dichlorophenyl)-2-propenoic acid [2-oxo-2-[4-(2-pyridin-1-iumyl)-1-piperazinyl]ethyl] ester IUPAC Name: [2-oxo-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethyl] (E)-3-(3,4-dichlorophenyl)prop-2-enoate Traditional Name: (E)-3-(3,4-dichlorophenyl)acrylic acid [2-keto-2-(4-pyridin-1-ium-2-ylpiperazino)ethyl] ester Formula: C20H20Cl2N3O3+ MolecularWeight: 421.2971

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=[NH+]2)C(=O)COC(=O)C=CC3=CC(=C(C=C3)Cl)Cl

Isomeric SMILES

C1CN(CCN1C2=CC=CC=[NH+]2)C(=O)COC(=O)/C=C/C3=CC(=C(C=C3)Cl)Cl

InChI

InChI=1S/C20H19Cl2N3O3/c21-16-6-4-15(13-17(16)22)5-7-20(27)28-14-19(26)25-11-9-24(10-12-25)18-3-1-2-8-23-18/h1-8,13H,9-12,14H2/p+1/b7-5+