2-[2-[4-(4-ethanoyl-2-fluoranyl-phenyl)piperazin-1-ium-1-yl]ethanoyl-methyl-amino]-N-(furan-2-ylmethyl)benzamide

Systemtic Name: 2-[2-[4-(4-ethanoyl-2-fluoranyl-phenyl)piperazin-1-ium-1-yl]ethanoyl-methyl-amino]-N-(furan-2-ylmethyl)benzamide Openeye Name: 2-[[2-[4-(4-acetyl-2-fluoro-phenyl)piperazin-1-ium-1-yl]acetyl]-methyl-amino]-N-(2-furylmethyl)benzamide CAS Name: 2-[[2-[4-(4-acetyl-2-fluorophenyl)-1-piperazin-1-iumyl]-1-oxoethyl]-methylamino]-N-(2-furanylmethyl)benzamide IUPAC Name: 2-[[2-[4-(4-acetyl-2-fluorophenyl)piperazin-1-ium-1-yl]acetyl]-methylamino]-N-(furan-2-ylmethyl)benzamide Traditional Name: 2-[[2-[4-(4-acetyl-2-fluoro-phenyl)piperazin-1-ium-1-yl]acetyl]-methyl-amino]-N-(2-furfuryl)benzamide Formula: C27H30FN4O4+ MolecularWeight: 493.549903

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=C(C=C1)N2CC[NH+](CC2)CC(=O)N(C)C3=CC=CC=C3C(=O)NCC4=CC=CO4)F

Isomeric SMILES

CC(=O)C1=CC(=C(C=C1)N2CC[NH+](CC2)CC(=O)N(C)C3=CC=CC=C3C(=O)NCC4=CC=CO4)F

InChI

InChI=1S/C27H29FN4O4/c1-19(33)20-9-10-25(23(28)16-20)32-13-11-31(12-14-32)18-26(34)30(2)24-8-4-3-7-22(24)27(35)29-17-21-6-5-15-36-21/h3-10,15-16H,11-14,17-18H2,1-2H3,(H,29,35)/p+1