N-[3-(azepan-1-ium-1-yl)propyl]-1-[(2-fluorophenyl)methyl]piperidin-1-ium-4-carboxamide

Systemtic Name: N-[3-(azepan-1-ium-1-yl)propyl]-1-[(2-fluorophenyl)methyl]piperidin-1-ium-4-carboxamide Openeye Name: N-[3-(azepan-1-ium-1-yl)propyl]-1-[(2-fluorophenyl)methyl]piperidin-1-ium-4-carboxamide CAS Name: N-[3-(1-azepan-1-iumyl)propyl]-1-[(2-fluorophenyl)methyl]-4-piperidin-1-iumcarboxamide IUPAC Name: N-[3-(azepan-1-ium-1-yl)propyl]-1-[(2-fluorophenyl)methyl]piperidin-1-ium-4-carboxamide Traditional Name: N-[3-(azepan-1-ium-1-yl)propyl]-1-(2-fluorobenzyl)piperidin-1-ium-4-carboxamide Formula: C22H36FN3O+2 MolecularWeight: 377.539143

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC[NH+](CC1)CCCNC(=O)C2CC[NH+](CC2)CC3=CC=CC=C3F

Isomeric SMILES

C1CCC[NH+](CC1)CCCNC(=O)C2CC[NH+](CC2)CC3=CC=CC=C3F

InChI

InChI=1S/C22H34FN3O/c23-21-9-4-3-8-20(21)18-26-16-10-19(11-17-26)22(27)24-12-7-15-25-13-5-1-2-6-14-25/h3-4,8-9,19H,1-2,5-7,10-18H2,(H,24,27)/p+2