N-(3-chloranyl-4-fluoranyl-phenyl)-4-(pyridin-3-ylmethyl)piperazin-4-ium-1-carboxamide

Systemtic Name: N-(3-chloranyl-4-fluoranyl-phenyl)-4-(pyridin-3-ylmethyl)piperazin-4-ium-1-carboxamide Openeye Name: N-(3-chloro-4-fluoro-phenyl)-4-(3-pyridylmethyl)piperazin-4-ium-1-carboxamide CAS Name: N-(3-chloro-4-fluorophenyl)-4-(3-pyridinylmethyl)-1-piperazin-4-iumcarboxamide IUPAC Name: N-(3-chloro-4-fluorophenyl)-4-(pyridin-3-ylmethyl)piperazin-4-ium-1-carboxamide Traditional Name: N-(3-chloro-4-fluoro-phenyl)-4-(3-pyridylmethyl)piperazin-4-ium-1-carboxamide Formula: C17H19ClFN4O+ MolecularWeight: 349.810363

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H18ClFN4O/c18-15-10-14(3-4-16(15)19)21-17(24)23-8-6-22(7-9-23)12-13-2-1-5-20-11-13/h1-5,10-11H,6-9,12H2,(H,21,24)/p+1