1-[(2-chlorophenyl)methyl]-4-[(3,4,5-trimethoxyphenyl)methyl]piperazin-1-ium

Systemtic Name: 1-[(2-chlorophenyl)methyl]-4-[(3,4,5-trimethoxyphenyl)methyl]piperazin-1-ium Openeye Name: 1-[(2-chlorophenyl)methyl]-4-[(3,4,5-trimethoxyphenyl)methyl]piperazin-1-ium CAS Name: 1-[(2-chlorophenyl)methyl]-4-[(3,4,5-trimethoxyphenyl)methyl]piperazin-1-ium IUPAC Name: 1-[(2-chlorophenyl)methyl]-4-[(3,4,5-trimethoxyphenyl)methyl]piperazin-1-ium Traditional Name: 1-(2-chlorobenzyl)-4-(3,4,5-trimethoxybenzyl)piperazin-1-ium Formula: C21H28ClN2O3+ MolecularWeight: 391.91162

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)CN2CC[NH+](CC2)CC3=CC=CC=C3Cl

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)CN2CC[NH+](CC2)CC3=CC=CC=C3Cl

InChI

InChI=1S/C21H27ClN2O3/c1-25-19-12-16(13-20(26-2)21(19)27-3)14-23-8-10-24(11-9-23)15-17-6-4-5-7-18(17)22/h4-7,12-13H,8-11,14-15H2,1-3H3/p+1