N-ethyl-2-(4-fluorophenyl)-N-[[1-(1-methylpiperidin-1-ium-4-yl)piperidin-1-ium-4-yl]methyl]benzamide

Systemtic Name: N-ethyl-2-(4-fluorophenyl)-N-[[1-(1-methylpiperidin-1-ium-4-yl)piperidin-1-ium-4-yl]methyl]benzamide Openeye Name: N-ethyl-2-(4-fluorophenyl)-N-[[1-(1-methylpiperidin-1-ium-4-yl)piperidin-1-ium-4-yl]methyl]benzamide CAS Name: N-ethyl-2-(4-fluorophenyl)-N-[[1-(1-methyl-4-piperidin-1-iumyl)-4-piperidin-1-iumyl]methyl]benzamide IUPAC Name: N-ethyl-2-(4-fluorophenyl)-N-[[1-(1-methylpiperidin-1-ium-4-yl)piperidin-1-ium-4-yl]methyl]benzamide Traditional Name: N-ethyl-2-(4-fluorophenyl)-N-[[1-(1-methylpiperidin-1-ium-4-yl)piperidin-1-ium-4-yl]methyl]benzamide Formula: C27H38FN3O+2 MolecularWeight: 439.608523

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1CC[NH+](CC1)C2CC[NH+](CC2)C)C(=O)C3=CC=CC=C3C4=CC=C(C=C4)F

Isomeric SMILES

CCN(CC1CC[NH+](CC1)C2CC[NH+](CC2)C)C(=O)C3=CC=CC=C3C4=CC=C(C=C4)F

InChI

InChI=1S/C27H36FN3O/c1-3-30(20-21-12-18-31(19-13-21)24-14-16-29(2)17-15-24)27(32)26-7-5-4-6-25(26)22-8-10-23(28)11-9-22/h4-11,21,24H,3,12-20H2,1-2H3/p+2