N-[(3S)-1-[(2-fluorophenyl)methyl]piperidin-1-ium-3-yl]-2,3,4-trimethoxy-benzamide

Systemtic Name: N-[(3S)-1-[(2-fluorophenyl)methyl]piperidin-1-ium-3-yl]-2,3,4-trimethoxy-benzamide Openeye Name: N-[(3S)-1-[(2-fluorophenyl)methyl]piperidin-1-ium-3-yl]-2,3,4-trimethoxy-benzamide CAS Name: N-[(3S)-1-[(2-fluorophenyl)methyl]-3-piperidin-1-iumyl]-2,3,4-trimethoxybenzamide IUPAC Name: N-[(3S)-1-[(2-fluorophenyl)methyl]piperidin-1-ium-3-yl]-2,3,4-trimethoxybenzamide Traditional Name: N-[(3S)-1-(2-fluorobenzyl)piperidin-1-ium-3-yl]-2,3,4-trimethoxy-benzamide Formula: C22H28FN2O4+ MolecularWeight: 403.467123

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C(C=C1)C(=O)NC2CCC[NH+](C2)CC3=CC=CC=C3F)OC)OC

Isomeric SMILES

COC1=C(C(=C(C=C1)C(=O)N[C@H]2CCC[NH+](C2)CC3=CC=CC=C3F)OC)OC

InChI

InChI=1S/C22H27FN2O4/c1-27-19-11-10-17(20(28-2)21(19)29-3)22(26)24-16-8-6-12-25(14-16)13-15-7-4-5-9-18(15)23/h4-5,7,9-11,16H,6,8,12-14H2,1-3H3,(H,24,26)/p+1/t16-/m0/s1