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

Systemtic Name: 3-[[4-[(2,4-dimethoxyphenyl)methyl]piperazin-1-ium-1-yl]methyl]-1H-indole Openeye Name: 3-[[4-[(2,4-dimethoxyphenyl)methyl]piperazin-1-ium-1-yl]methyl]-1H-indole CAS Name: 3-[[4-[(2,4-dimethoxyphenyl)methyl]-1-piperazin-1-iumyl]methyl]-1H-indole IUPAC Name: 3-[[4-[(2,4-dimethoxyphenyl)methyl]piperazin-1-ium-1-yl]methyl]-1H-indole Traditional Name: 3-[[4-(2,4-dimethoxybenzyl)piperazin-1-ium-1-yl]methyl]-1H-indole Formula: C22H28N3O2+ MolecularWeight: 366.47662

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)CN2CC[NH+](CC2)CC3=CNC4=CC=CC=C43)OC

Isomeric SMILES

COC1=CC(=C(C=C1)CN2CC[NH+](CC2)CC3=CNC4=CC=CC=C43)OC

InChI

InChI=1S/C22H27N3O2/c1-26-19-8-7-17(22(13-19)27-2)15-24-9-11-25(12-10-24)16-18-14-23-21-6-4-3-5-20(18)21/h3-8,13-14,23H,9-12,15-16H2,1-2H3/p+1