1-[5-methoxy-2-methyl-1-(phenylmethyl)indol-3-yl]-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)ethanone

Systemtic Name: 1-[5-methoxy-2-methyl-1-(phenylmethyl)indol-3-yl]-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)ethanone Openeye Name: 1-(1-benzyl-5-methoxy-2-methyl-indol-3-yl)-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)ethanone CAS Name: 1-[5-methoxy-2-methyl-1-(phenylmethyl)-3-indolyl]-2-[4-(2-pyridin-1-iumyl)-1-piperazin-1-iumyl]ethanone IUPAC Name: 1-(1-benzyl-5-methoxy-2-methylindol-3-yl)-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)ethanone Traditional Name: 1-(1-benzyl-5-methoxy-2-methyl-indol-3-yl)-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)ethanone Formula: C28H32N4O2+2 MolecularWeight: 456.57928

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(N1CC3=CC=CC=C3)C=CC(=C2)OC)C(=O)C[NH+]4CCN(CC4)C5=CC=CC=[NH+]5

Isomeric SMILES

CC1=C(C2=C(N1CC3=CC=CC=C3)C=CC(=C2)OC)C(=O)C[NH+]4CCN(CC4)C5=CC=CC=[NH+]5

InChI

InChI=1S/C28H30N4O2/c1-21-28(26(33)20-30-14-16-31(17-15-30)27-10-6-7-13-29-27)24-18-23(34-2)11-12-25(24)32(21)19-22-8-4-3-5-9-22/h3-13,18H,14-17,19-20H2,1-2H3/p+2