N-[1-[(2-chloranyl-6-fluoranyl-phenyl)methyl]piperidin-1-ium-4-yl]-3,4-dimethoxy-benzamide

Systemtic Name: N-[1-[(2-chloranyl-6-fluoranyl-phenyl)methyl]piperidin-1-ium-4-yl]-3,4-dimethoxy-benzamide Openeye Name: N-[1-[(2-chloro-6-fluoro-phenyl)methyl]piperidin-1-ium-4-yl]-3,4-dimethoxy-benzamide CAS Name: N-[1-[(2-chloro-6-fluorophenyl)methyl]-4-piperidin-1-iumyl]-3,4-dimethoxybenzamide IUPAC Name: N-[1-[(2-chloro-6-fluorophenyl)methyl]piperidin-1-ium-4-yl]-3,4-dimethoxybenzamide Traditional Name: N-[1-(2-chloro-6-fluoro-benzyl)piperidin-1-ium-4-yl]-3,4-dimethoxy-benzamide Formula: C21H25ClFN2O3+ MolecularWeight: 407.886203

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)NC2CC[NH+](CC2)CC3=C(C=CC=C3Cl)F)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)NC2CC[NH+](CC2)CC3=C(C=CC=C3Cl)F)OC

InChI

InChI=1S/C21H24ClFN2O3/c1-27-19-7-6-14(12-20(19)28-2)21(26)24-15-8-10-25(11-9-15)13-16-17(22)4-3-5-18(16)23/h3-7,12,15H,8-11,13H2,1-2H3,(H,24,26)/p+1