2-[[4-[(2-ethoxyphenyl)methyl]piperazine-1,4-diium-1-yl]methyl]-4-methoxy-phenol

Systemtic Name: 2-[[4-[(2-ethoxyphenyl)methyl]piperazine-1,4-diium-1-yl]methyl]-4-methoxy-phenol Openeye Name: 2-[[4-[(2-ethoxyphenyl)methyl]piperazine-1,4-diium-1-yl]methyl]-4-methoxy-phenol CAS Name: 2-[[4-[(2-ethoxyphenyl)methyl]-1-piperazine-1,4-diiumyl]methyl]-4-methoxyphenol IUPAC Name: 2-[[4-[(2-ethoxyphenyl)methyl]piperazine-1,4-diium-1-yl]methyl]-4-methoxyphenol Traditional Name: 2-[[4-(2-ethoxybenzyl)piperazine-1,4-diium-1-yl]methyl]-4-methoxy-phenol Formula: C21H30N2O3+2 MolecularWeight: 358.4745

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1C[NH+]2CC[NH+](CC2)CC3=C(C=CC(=C3)OC)O

Isomeric SMILES

CCOC1=CC=CC=C1C[NH+]2CC[NH+](CC2)CC3=C(C=CC(=C3)OC)O

InChI

InChI=1S/C21H28N2O3/c1-3-26-21-7-5-4-6-17(21)15-22-10-12-23(13-11-22)16-18-14-19(25-2)8-9-20(18)24/h4-9,14,24H,3,10-13,15-16H2,1-2H3/p+2