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

Systemtic Name: 1-(naphthalen-2-ylmethyl)-4-[(3,4,5-trimethoxyphenyl)methyl]piperazin-1-ium Openeye Name: 1-(2-naphthylmethyl)-4-[(3,4,5-trimethoxyphenyl)methyl]piperazin-1-ium CAS Name: 1-(2-naphthalenylmethyl)-4-[(3,4,5-trimethoxyphenyl)methyl]piperazin-1-ium IUPAC Name: 1-(naphthalen-2-ylmethyl)-4-[(3,4,5-trimethoxyphenyl)methyl]piperazin-1-ium Traditional Name: 1-(2-naphthylmethyl)-4-(3,4,5-trimethoxybenzyl)piperazin-1-ium Formula: C25H31N2O3+ MolecularWeight: 407.52524

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)CN2CC[NH+](CC2)CC3=CC4=CC=CC=C4C=C3

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)CN2CC[NH+](CC2)CC3=CC4=CC=CC=C4C=C3

InChI

InChI=1S/C25H30N2O3/c1-28-23-15-20(16-24(29-2)25(23)30-3)18-27-12-10-26(11-13-27)17-19-8-9-21-6-4-5-7-22(21)14-19/h4-9,14-16H,10-13,17-18H2,1-3H3/p+1