(4-chloranyl-3-fluoranyl-phenyl)methyl-ethyl-[[1-(1-methylpiperidin-1-ium-4-yl)piperidin-1-ium-4-yl]methyl]azanium

Systemtic Name: (4-chloranyl-3-fluoranyl-phenyl)methyl-ethyl-[[1-(1-methylpiperidin-1-ium-4-yl)piperidin-1-ium-4-yl]methyl]azanium Openeye Name: (4-chloro-3-fluoro-phenyl)methyl-ethyl-[[1-(1-methylpiperidin-1-ium-4-yl)piperidin-1-ium-4-yl]methyl]ammonium CAS Name: (4-chloro-3-fluorophenyl)methyl-ethyl-[[1-(1-methyl-4-piperidin-1-iumyl)-4-piperidin-1-iumyl]methyl]ammonium IUPAC Name: (4-chloro-3-fluorophenyl)methyl-ethyl-[[1-(1-methylpiperidin-1-ium-4-yl)piperidin-1-ium-4-yl]methyl]azanium Traditional Name: (4-chloro-3-fluoro-benzyl)-ethyl-[[1-(1-methylpiperidin-1-ium-4-yl)piperidin-1-ium-4-yl]methyl]ammonium Formula: C21H36ClFN3+3 MolecularWeight: 384.982043

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC1CC[NH+](CC1)C2CC[NH+](CC2)C)CC3=CC(=C(C=C3)Cl)F

Isomeric SMILES

CC[NH+](CC1CC[NH+](CC1)C2CC[NH+](CC2)C)CC3=CC(=C(C=C3)Cl)F

InChI

InChI=1S/C21H33ClFN3/c1-3-25(16-18-4-5-20(22)21(23)14-18)15-17-6-12-26(13-7-17)19-8-10-24(2)11-9-19/h4-5,14,17,19H,3,6-13,15-16H2,1-2H3/p+3