3-[2-(4-methoxyphenyl)-1H-indol-3-yl]-1-(4-pyridin-1-ium-4-ylpiperazin-1-yl)propan-1-one

Systemtic Name: 3-[2-(4-methoxyphenyl)-1H-indol-3-yl]-1-(4-pyridin-1-ium-4-ylpiperazin-1-yl)propan-1-one Openeye Name: 3-[2-(4-methoxyphenyl)-1H-indol-3-yl]-1-(4-pyridin-1-ium-4-ylpiperazin-1-yl)propan-1-one CAS Name: 3-[2-(4-methoxyphenyl)-1H-indol-3-yl]-1-[4-(4-pyridin-1-iumyl)-1-piperazinyl]-1-propanone IUPAC Name: 3-[2-(4-methoxyphenyl)-1H-indol-3-yl]-1-(4-pyridin-1-ium-4-ylpiperazin-1-yl)propan-1-one Traditional Name: 3-[2-(4-methoxyphenyl)-1H-indol-3-yl]-1-(4-pyridin-1-ium-4-ylpiperazino)propan-1-one Formula: C27H29N4O2+ MolecularWeight: 441.54476

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=C(C3=CC=CC=C3N2)CCC(=O)N4CCN(CC4)C5=CC=[NH+]C=C5

Isomeric SMILES

COC1=CC=C(C=C1)C2=C(C3=CC=CC=C3N2)CCC(=O)N4CCN(CC4)C5=CC=[NH+]C=C5

InChI

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