N-ethyl-3-(4-fluorophenyl)-N-[[1-(1-methylpiperidin-4-yl)piperidin-1-ium-4-yl]methyl]benzamide

Systemtic Name: N-ethyl-3-(4-fluorophenyl)-N-[[1-(1-methylpiperidin-4-yl)piperidin-1-ium-4-yl]methyl]benzamide Openeye Name: N-ethyl-3-(4-fluorophenyl)-N-[[1-(1-methyl-4-piperidyl)piperidin-1-ium-4-yl]methyl]benzamide CAS Name: N-ethyl-3-(4-fluorophenyl)-N-[[1-(1-methyl-4-piperidinyl)-4-piperidin-1-iumyl]methyl]benzamide IUPAC Name: N-ethyl-3-(4-fluorophenyl)-N-[[1-(1-methylpiperidin-4-yl)piperidin-1-ium-4-yl]methyl]benzamide Traditional Name: N-ethyl-3-(4-fluorophenyl)-N-[[1-(1-methyl-4-piperidyl)piperidin-1-ium-4-yl]methyl]benzamide Formula: C27H37FN3O+ MolecularWeight: 438.600583

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1CC[NH+](CC1)C2CCN(CC2)C)C(=O)C3=CC=CC(=C3)C4=CC=C(C=C4)F

Isomeric SMILES

CCN(CC1CC[NH+](CC1)C2CCN(CC2)C)C(=O)C3=CC=CC(=C3)C4=CC=C(C=C4)F

InChI

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