4-bromanyl-2-[[4-[(2,4,5-trimethoxyphenyl)methyl]piperazine-1,4-diium-1-yl]methyl]phenol

Systemtic Name: 4-bromanyl-2-[[4-[(2,4,5-trimethoxyphenyl)methyl]piperazine-1,4-diium-1-yl]methyl]phenol Openeye Name: 4-bromo-2-[[4-[(2,4,5-trimethoxyphenyl)methyl]piperazine-1,4-diium-1-yl]methyl]phenol CAS Name: 4-bromo-2-[[4-[(2,4,5-trimethoxyphenyl)methyl]-1-piperazine-1,4-diiumyl]methyl]phenol IUPAC Name: 4-bromo-2-[[4-[(2,4,5-trimethoxyphenyl)methyl]piperazine-1,4-diium-1-yl]methyl]phenol Traditional Name: 4-bromo-2-[[4-(2,4,5-trimethoxybenzyl)piperazine-1,4-diium-1-yl]methyl]phenol Formula: C21H29BrN2O4+2 MolecularWeight: 453.36996

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1C[NH+]2CC[NH+](CC2)CC3=C(C=CC(=C3)Br)O)OC)OC

Isomeric SMILES

COC1=CC(=C(C=C1C[NH+]2CC[NH+](CC2)CC3=C(C=CC(=C3)Br)O)OC)OC

InChI

InChI=1S/C21H27BrN2O4/c1-26-19-12-21(28-3)20(27-2)11-16(19)14-24-8-6-23(7-9-24)13-15-10-17(22)4-5-18(15)25/h4-5,10-12,25H,6-9,13-14H2,1-3H3/p+2