4-chloranyl-2-fluoranyl-N-[4-[4-(3-methylphenyl)piperazin-1-ium-1-yl]butyl]benzamide

Systemtic Name: 4-chloranyl-2-fluoranyl-N-[4-[4-(3-methylphenyl)piperazin-1-ium-1-yl]butyl]benzamide Openeye Name: 4-chloro-2-fluoro-N-[4-[4-(m-tolyl)piperazin-1-ium-1-yl]butyl]benzamide CAS Name: 4-chloro-2-fluoro-N-[4-[4-(3-methylphenyl)-1-piperazin-1-iumyl]butyl]benzamide IUPAC Name: 4-chloro-2-fluoro-N-[4-[4-(3-methylphenyl)piperazin-1-ium-1-yl]butyl]benzamide Traditional Name: 4-chloro-2-fluoro-N-[4-[4-(m-tolyl)piperazin-1-ium-1-yl]butyl]benzamide Formula: C22H28ClFN3O+ MolecularWeight: 404.928623

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2CC[NH+](CC2)CCCCNC(=O)C3=C(C=C(C=C3)Cl)F

Isomeric SMILES

CC1=CC(=CC=C1)N2CC[NH+](CC2)CCCCNC(=O)C3=C(C=C(C=C3)Cl)F

InChI

InChI=1S/C22H27ClFN3O/c1-17-5-4-6-19(15-17)27-13-11-26(12-14-27)10-3-2-9-25-22(28)20-8-7-18(23)16-21(20)24/h4-8,15-16H,2-3,9-14H2,1H3,(H,25,28)/p+1