3-[[1-[(2-chloranyl-6-fluoranyl-phenyl)methyl]piperidin-1-ium-4-yl]carbamoyl]pyrazine-2-carboxylate

Systemtic Name: 3-[[1-[(2-chloranyl-6-fluoranyl-phenyl)methyl]piperidin-1-ium-4-yl]carbamoyl]pyrazine-2-carboxylate Openeye Name: 3-[[1-[(2-chloro-6-fluoro-phenyl)methyl]piperidin-1-ium-4-yl]carbamoyl]pyrazine-2-carboxylate CAS Name: 3-[[[1-[(2-chloro-6-fluorophenyl)methyl]-4-piperidin-1-iumyl]amino]-oxomethyl]-2-pyrazinecarboxylate IUPAC Name: 3-[[1-[(2-chloro-6-fluorophenyl)methyl]piperidin-1-ium-4-yl]carbamoyl]pyrazine-2-carboxylate Traditional Name: 3-[[1-(2-chloro-6-fluoro-benzyl)piperidin-1-ium-4-yl]carbamoyl]pyrazinate Formula: C18H18ClFN4O3 MolecularWeight: 392.811923

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1NC(=O)C2=NC=CN=C2C(=O)[O-])CC3=C(C=CC=C3Cl)F

Isomeric SMILES

C1C[NH+](CCC1NC(=O)C2=NC=CN=C2C(=O)[O-])CC3=C(C=CC=C3Cl)F

InChI

InChI=1S/C18H18ClFN4O3/c19-13-2-1-3-14(20)12(13)10-24-8-4-11(5-9-24)23-17(25)15-16(18(26)27)22-7-6-21-15/h1-3,6-7,11H,4-5,8-10H2,(H,23,25)(H,26,27)