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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)CC[NH+]2CCN(CC2)C3=CC(=CC=C3)Cl

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)CC[NH+]2CCN(CC2)C3=CC(=CC=C3)Cl

InChI

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