N-[2-chloranyl-5-(trifluoromethyl)phenyl]-4-(pyridin-3-ylmethyl)piperazin-4-ium-1-carboxamide

Systemtic Name: N-[2-chloranyl-5-(trifluoromethyl)phenyl]-4-(pyridin-3-ylmethyl)piperazin-4-ium-1-carboxamide Openeye Name: N-[2-chloro-5-(trifluoromethyl)phenyl]-4-(3-pyridylmethyl)piperazin-4-ium-1-carboxamide CAS Name: N-[2-chloro-5-(trifluoromethyl)phenyl]-4-(3-pyridinylmethyl)-1-piperazin-4-iumcarboxamide IUPAC Name: N-[2-chloro-5-(trifluoromethyl)phenyl]-4-(pyridin-3-ylmethyl)piperazin-4-ium-1-carboxamide Traditional Name: N-[2-chloro-5-(trifluoromethyl)phenyl]-4-(3-pyridylmethyl)piperazin-4-ium-1-carboxamide Formula: C18H19ClF3N4O+ MolecularWeight: 399.81787

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CN=CC=C2)C(=O)NC3=C(C=CC(=C3)C(F)(F)F)Cl

Isomeric SMILES

C1CN(CC[NH+]1CC2=CN=CC=C2)C(=O)NC3=C(C=CC(=C3)C(F)(F)F)Cl

InChI

InChI=1S/C18H18ClF3N4O/c19-15-4-3-14(18(20,21)22)10-16(15)24-17(27)26-8-6-25(7-9-26)12-13-2-1-5-23-11-13/h1-5,10-11H,6-9,12H2,(H,24,27)/p+1