methyl 3-[4-[3-chloranyl-5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-yl]carbonylpyridine-4-carboxylate

Systemtic Name: methyl 3-[4-[3-chloranyl-5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-yl]carbonylpyridine-4-carboxylate Openeye Name: methyl 3-[4-[3-chloro-5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazine-1-carbonyl]pyridine-4-carboxylate CAS Name: 3-[[4-[3-chloro-5-(trifluoromethyl)-2-pyridin-1-iumyl]-1-piperazinyl]-oxomethyl]-4-pyridinecarboxylic acid methyl ester IUPAC Name: methyl 3-[4-[3-chloro-5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazine-1-carbonyl]pyridine-4-carboxylate Traditional Name: 3-[4-[3-chloro-5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazine-1-carbonyl]isonicotinic acid methyl ester Formula: C18H17ClF3N4O3+ MolecularWeight: 429.80079

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=NC=C1)C(=O)N2CCN(CC2)C3=C(C=C(C=[NH+]3)C(F)(F)F)Cl

Isomeric SMILES

COC(=O)C1=C(C=NC=C1)C(=O)N2CCN(CC2)C3=C(C=C(C=[NH+]3)C(F)(F)F)Cl

InChI

InChI=1S/C18H16ClF3N4O3/c1-29-17(28)12-2-3-23-10-13(12)16(27)26-6-4-25(5-7-26)15-14(19)8-11(9-24-15)18(20,21)22/h2-3,8-10H,4-7H2,1H3/p+1