N-(4-chloranyl-3-methyl-phenyl)-4-[[4-(furan-2-ylcarbonyl)piperazin-1-ium-1-yl]methyl]benzamide

Systemtic Name: N-(4-chloranyl-3-methyl-phenyl)-4-[[4-(furan-2-ylcarbonyl)piperazin-1-ium-1-yl]methyl]benzamide Openeye Name: N-(4-chloro-3-methyl-phenyl)-4-[[4-(furan-2-carbonyl)piperazin-1-ium-1-yl]methyl]benzamide CAS Name: N-(4-chloro-3-methylphenyl)-4-[[4-[2-furanyl(oxo)methyl]-1-piperazin-1-iumyl]methyl]benzamide IUPAC Name: N-(4-chloro-3-methylphenyl)-4-[[4-(furan-2-carbonyl)piperazin-1-ium-1-yl]methyl]benzamide Traditional Name: N-(4-chloro-3-methyl-phenyl)-4-[[4-(2-furoyl)piperazin-1-ium-1-yl]methyl]benzamide Formula: C24H25ClN3O3+ MolecularWeight: 438.9266

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC(=O)C2=CC=C(C=C2)C[NH+]3CCN(CC3)C(=O)C4=CC=CO4)Cl

Isomeric SMILES

CC1=C(C=CC(=C1)NC(=O)C2=CC=C(C=C2)C[NH+]3CCN(CC3)C(=O)C4=CC=CO4)Cl

InChI

InChI=1S/C24H24ClN3O3/c1-17-15-20(8-9-21(17)25)26-23(29)19-6-4-18(5-7-19)16-27-10-12-28(13-11-27)24(30)22-3-2-14-31-22/h2-9,14-15H,10-13,16H2,1H3,(H,26,29)/p+1