N-[(2S)-1-(3-methylpyridin-2-yl)propan-2-yl]-4-[1-(pyridin-2-ylmethyl)piperidin-1-ium-4-yl]oxy-benzamide

Systemtic Name: N-[(2S)-1-(3-methylpyridin-2-yl)propan-2-yl]-4-[1-(pyridin-2-ylmethyl)piperidin-1-ium-4-yl]oxy-benzamide Openeye Name: N-[(1S)-1-methyl-2-(3-methyl-2-pyridyl)ethyl]-4-[1-(2-pyridylmethyl)piperidin-1-ium-4-yl]oxy-benzamide CAS Name: N-[(2S)-1-(3-methyl-2-pyridinyl)propan-2-yl]-4-[[1-(2-pyridinylmethyl)-4-piperidin-1-iumyl]oxy]benzamide IUPAC Name: N-[(2S)-1-(3-methylpyridin-2-yl)propan-2-yl]-4-[1-(pyridin-2-ylmethyl)piperidin-1-ium-4-yl]oxybenzamide Traditional Name: N-[(1S)-1-methyl-2-(3-methyl-2-pyridyl)ethyl]-4-[1-(2-pyridylmethyl)piperidin-1-ium-4-yl]oxy-benzamide Formula: C27H33N4O2+ MolecularWeight: 445.57652

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=CC=C1)CC(C)NC(=O)C2=CC=C(C=C2)OC3CC[NH+](CC3)CC4=CC=CC=N4

Isomeric SMILES

CC1=C(N=CC=C1)C[C@H](C)NC(=O)C2=CC=C(C=C2)OC3CC[NH+](CC3)CC4=CC=CC=N4

InChI

InChI=1S/C27H32N4O2/c1-20-6-5-15-29-26(20)18-21(2)30-27(32)22-8-10-24(11-9-22)33-25-12-16-31(17-13-25)19-23-7-3-4-14-28-23/h3-11,14-15,21,25H,12-13,16-19H2,1-2H3,(H,30,32)/p+1/t21-/m0/s1