ethyl 3-azanyl-3-[4-[3-chloranyl-5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-ium-1-ylidene]propanoate

Systemtic Name: ethyl 3-azanyl-3-[4-[3-chloranyl-5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-ium-1-ylidene]propanoate Openeye Name: ethyl 3-amino-3-[4-[3-chloro-5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-ium-1-ylidene]propanoate CAS Name: 3-amino-3-[4-[3-chloro-5-(trifluoromethyl)-2-pyridin-1-iumyl]-1-piperazin-1-iumylidene]propanoic acid ethyl ester IUPAC Name: ethyl 3-amino-3-[4-[3-chloro-5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-ium-1-ylidene]propanoate Traditional Name: 3-amino-3-[4-[3-chloro-5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-ium-1-ylidene]propionic acid ethyl ester Formula: C15H20ClF3N4O2+2 MolecularWeight: 380.79311

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC(=[N+]1CCN(CC1)C2=C(C=C(C=[NH+]2)C(F)(F)F)Cl)N

Isomeric SMILES

CCOC(=O)CC(=[N+]1CCN(CC1)C2=C(C=C(C=[NH+]2)C(F)(F)F)Cl)N

InChI

InChI=1S/C15H18ClF3N4O2/c1-2-25-13(24)8-12(20)22-3-5-23(6-4-22)14-11(16)7-10(9-21-14)15(17,18)19/h7,9,20H,2-6,8H2,1H3/p+2