3-[[4-[(2,4,5-trimethoxyphenyl)methyl]piperazin-1-ium-1-yl]methyl]-1H-indole

Systemtic Name: 3-[[4-[(2,4,5-trimethoxyphenyl)methyl]piperazin-1-ium-1-yl]methyl]-1H-indole Openeye Name: 3-[[4-[(2,4,5-trimethoxyphenyl)methyl]piperazin-1-ium-1-yl]methyl]-1H-indole CAS Name: 3-[[4-[(2,4,5-trimethoxyphenyl)methyl]-1-piperazin-1-iumyl]methyl]-1H-indole IUPAC Name: 3-[[4-[(2,4,5-trimethoxyphenyl)methyl]piperazin-1-ium-1-yl]methyl]-1H-indole Traditional Name: 3-[[4-(2,4,5-trimethoxybenzyl)piperazin-1-ium-1-yl]methyl]-1H-indole Formula: C23H30N3O3+ MolecularWeight: 396.5026

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1CN2CC[NH+](CC2)CC3=CNC4=CC=CC=C43)OC)OC

Isomeric SMILES

COC1=CC(=C(C=C1CN2CC[NH+](CC2)CC3=CNC4=CC=CC=C43)OC)OC

InChI

InChI=1S/C23H29N3O3/c1-27-21-13-23(29-3)22(28-2)12-17(21)15-25-8-10-26(11-9-25)16-18-14-24-20-7-5-4-6-19(18)20/h4-7,12-14,24H,8-11,15-16H2,1-3H3/p+1