2-[4-[(E)-3-(3-chloranyl-4-fluoranyl-phenyl)prop-2-enoyl]piperazin-1-ium-1-yl]-N-cyclopropyl-ethanamide

Systemtic Name: 2-[4-[(E)-3-(3-chloranyl-4-fluoranyl-phenyl)prop-2-enoyl]piperazin-1-ium-1-yl]-N-cyclopropyl-ethanamide Openeye Name: 2-[4-[(E)-3-(3-chloro-4-fluoro-phenyl)prop-2-enoyl]piperazin-1-ium-1-yl]-N-cyclopropyl-acetamide CAS Name: 2-[4-[(E)-3-(3-chloro-4-fluorophenyl)-1-oxoprop-2-enyl]-1-piperazin-1-iumyl]-N-cyclopropylacetamide IUPAC Name: 2-[4-[(E)-3-(3-chloro-4-fluorophenyl)prop-2-enoyl]piperazin-1-ium-1-yl]-N-cyclopropylacetamide Traditional Name: 2-[4-[(E)-3-(3-chloro-4-fluoro-phenyl)acryloyl]piperazin-1-ium-1-yl]-N-cyclopropyl-acetamide Formula: C18H22ClFN3O2+ MolecularWeight: 366.837583

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1NC(=O)C[NH+]2CCN(CC2)C(=O)C=CC3=CC(=C(C=C3)F)Cl

Isomeric SMILES

C1CC1NC(=O)C[NH+]2CCN(CC2)C(=O)/C=C/C3=CC(=C(C=C3)F)Cl

InChI

InChI=1S/C18H21ClFN3O2/c19-15-11-13(1-5-16(15)20)2-6-18(25)23-9-7-22(8-10-23)12-17(24)21-14-3-4-14/h1-2,5-6,11,14H,3-4,7-10,12H2,(H,21,24)/p+1/b6-2+