N-[[(2S)-1,4-dioxan-2-yl]methyl]-4-[1-(pyridin-2-ylmethyl)piperidin-1-ium-4-yl]oxy-benzamide

Systemtic Name: N-[[(2S)-1,4-dioxan-2-yl]methyl]-4-[1-(pyridin-2-ylmethyl)piperidin-1-ium-4-yl]oxy-benzamide Openeye Name: N-[[(2S)-1,4-dioxan-2-yl]methyl]-4-[1-(2-pyridylmethyl)piperidin-1-ium-4-yl]oxy-benzamide CAS Name: N-[[(2S)-1,4-dioxan-2-yl]methyl]-4-[[1-(2-pyridinylmethyl)-4-piperidin-1-iumyl]oxy]benzamide IUPAC Name: N-[[(2S)-1,4-dioxan-2-yl]methyl]-4-[1-(pyridin-2-ylmethyl)piperidin-1-ium-4-yl]oxybenzamide Traditional Name: N-[[(2S)-1,4-dioxan-2-yl]methyl]-4-[1-(2-pyridylmethyl)piperidin-1-ium-4-yl]oxy-benzamide Formula: C23H30N3O4+ MolecularWeight: 412.502

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1OC2=CC=C(C=C2)C(=O)NCC3COCCO3)CC4=CC=CC=N4

Isomeric SMILES

C1C[NH+](CCC1OC2=CC=C(C=C2)C(=O)NC[C@H]3COCCO3)CC4=CC=CC=N4

InChI

InChI=1S/C23H29N3O4/c27-23(25-15-22-17-28-13-14-29-22)18-4-6-20(7-5-18)30-21-8-11-26(12-9-21)16-19-3-1-2-10-24-19/h1-7,10,21-22H,8-9,11-17H2,(H,25,27)/p+1/t22-/m0/s1