1-[1-[(2-chloranyl-6-fluoranyl-phenyl)methyl]piperidin-1-ium-4-yl]-N-propan-2-yl-piperidin-1-ium-4-carboxamide

Systemtic Name: 1-[1-[(2-chloranyl-6-fluoranyl-phenyl)methyl]piperidin-1-ium-4-yl]-N-propan-2-yl-piperidin-1-ium-4-carboxamide Openeye Name: 1-[1-[(2-chloro-6-fluoro-phenyl)methyl]piperidin-1-ium-4-yl]-N-isopropyl-piperidin-1-ium-4-carboxamide CAS Name: 1-[1-[(2-chloro-6-fluorophenyl)methyl]-4-piperidin-1-iumyl]-N-propan-2-yl-4-piperidin-1-iumcarboxamide IUPAC Name: 1-[1-[(2-chloro-6-fluorophenyl)methyl]piperidin-1-ium-4-yl]-N-propan-2-ylpiperidin-1-ium-4-carboxamide Traditional Name: 1-[1-(2-chloro-6-fluoro-benzyl)piperidin-1-ium-4-yl]-N-isopropyl-piperidin-1-ium-4-carboxamide Formula: C21H33ClFN3O+2 MolecularWeight: 397.957623

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)C1CC[NH+](CC1)C2CC[NH+](CC2)CC3=C(C=CC=C3Cl)F

Isomeric SMILES

CC(C)NC(=O)C1CC[NH+](CC1)C2CC[NH+](CC2)CC3=C(C=CC=C3Cl)F

InChI

InChI=1S/C21H31ClFN3O/c1-15(2)24-21(27)16-6-12-26(13-7-16)17-8-10-25(11-9-17)14-18-19(22)4-3-5-20(18)23/h3-5,15-17H,6-14H2,1-2H3,(H,24,27)/p+2