[2-oxidanylidene-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethyl] 2-[(3,4-dichlorophenyl)carbonylamino]ethanoate

Systemtic Name: [2-oxidanylidene-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethyl] 2-[(3,4-dichlorophenyl)carbonylamino]ethanoate Openeye Name: [2-oxo-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethyl] 2-[(3,4-dichlorobenzoyl)amino]acetate CAS Name: 2-[[(3,4-dichlorophenyl)-oxomethyl]amino]acetic 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] 2-[(3,4-dichlorobenzoyl)amino]acetate Traditional Name: 2-[(3,4-dichlorobenzoyl)amino]acetic acid [2-keto-2-(4-pyridin-1-ium-2-ylpiperazino)ethyl] ester Formula: C20H21Cl2N4O4+ MolecularWeight: 452.31114

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20Cl2N4O4/c21-15-5-4-14(11-16(15)22)20(29)24-12-19(28)30-13-18(27)26-9-7-25(8-10-26)17-3-1-2-6-23-17/h1-6,11H,7-10,12-13H2,(H,24,29)/p+1