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

Systemtic Name: N-[(2S)-1-methoxypropan-2-yl]-4-[1-(pyridin-2-ylmethyl)piperidin-1-ium-4-yl]oxy-benzamide Openeye Name: N-[(1S)-2-methoxy-1-methyl-ethyl]-4-[1-(2-pyridylmethyl)piperidin-1-ium-4-yl]oxy-benzamide CAS Name: N-[(2S)-1-methoxypropan-2-yl]-4-[[1-(2-pyridinylmethyl)-4-piperidin-1-iumyl]oxy]benzamide IUPAC Name: N-[(2S)-1-methoxypropan-2-yl]-4-[1-(pyridin-2-ylmethyl)piperidin-1-ium-4-yl]oxybenzamide Traditional Name: N-[(1S)-2-methoxy-1-methyl-ethyl]-4-[1-(2-pyridylmethyl)piperidin-1-ium-4-yl]oxy-benzamide Formula: C22H30N3O3+ MolecularWeight: 384.4919

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Descriptors Computed from Structure

Canonical SMILES:

CC(COC)NC(=O)C1=CC=C(C=C1)OC2CC[NH+](CC2)CC3=CC=CC=N3

Isomeric SMILES

C[C@@H](COC)NC(=O)C1=CC=C(C=C1)OC2CC[NH+](CC2)CC3=CC=CC=N3

InChI

InChI=1S/C22H29N3O3/c1-17(16-27-2)24-22(26)18-6-8-20(9-7-18)28-21-10-13-25(14-11-21)15-19-5-3-4-12-23-19/h3-9,12,17,21H,10-11,13-16H2,1-2H3,(H,24,26)/p+1/t17-/m0/s1