1-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-4-ium-1-yl]-2-(1H-indol-3-yl)ethanone

Systemtic Name: 1-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-4-ium-1-yl]-2-(1H-indol-3-yl)ethanone Openeye Name: 1-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-4-ium-1-yl]-2-(1H-indol-3-yl)ethanone CAS Name: 1-[4-[(2,5-dimethoxyphenyl)methyl]-1-piperazin-4-iumyl]-2-(1H-indol-3-yl)ethanone IUPAC Name: 1-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-4-ium-1-yl]-2-(1H-indol-3-yl)ethanone Traditional Name: 1-[4-(2,5-dimethoxybenzyl)piperazin-4-ium-1-yl]-2-(1H-indol-3-yl)ethanone Formula: C23H28N3O3+ MolecularWeight: 394.48672

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)C[NH+]2CCN(CC2)C(=O)CC3=CNC4=CC=CC=C43

Isomeric SMILES

COC1=CC(=C(C=C1)OC)C[NH+]2CCN(CC2)C(=O)CC3=CNC4=CC=CC=C43

InChI

InChI=1S/C23H27N3O3/c1-28-19-7-8-22(29-2)18(13-19)16-25-9-11-26(12-10-25)23(27)14-17-15-24-21-6-4-3-5-20(17)21/h3-8,13,15,24H,9-12,14,16H2,1-2H3/p+1