2-(2-methyl-5-phenylmethoxy-1H-indol-3-yl)-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethanone

Systemtic Name: 2-(2-methyl-5-phenylmethoxy-1H-indol-3-yl)-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethanone Openeye Name: 2-(5-benzyloxy-2-methyl-1H-indol-3-yl)-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethanone CAS Name: 2-(2-methyl-5-phenylmethoxy-1H-indol-3-yl)-1-[4-(2-pyridin-1-iumyl)-1-piperazinyl]ethanone IUPAC Name: 2-(2-methyl-5-phenylmethoxy-1H-indol-3-yl)-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethanone Traditional Name: 2-(5-benzoxy-2-methyl-1H-indol-3-yl)-1-(4-pyridin-1-ium-2-ylpiperazino)ethanone Formula: C27H29N4O2+ MolecularWeight: 441.54476

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(N1)C=CC(=C2)OCC3=CC=CC=C3)CC(=O)N4CCN(CC4)C5=CC=CC=[NH+]5

Isomeric SMILES

CC1=C(C2=C(N1)C=CC(=C2)OCC3=CC=CC=C3)CC(=O)N4CCN(CC4)C5=CC=CC=[NH+]5

InChI

InChI=1S/C27H28N4O2/c1-20-23(18-27(32)31-15-13-30(14-16-31)26-9-5-6-12-28-26)24-17-22(10-11-25(24)29-20)33-19-21-7-3-2-4-8-21/h2-12,17,29H,13-16,18-19H2,1H3/p+1