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

Systemtic Name: 1-[(3-nitrophenyl)methyl]-4-[(2,4,5-trimethoxyphenyl)methyl]piperazin-1-ium Openeye Name: 1-[(3-nitrophenyl)methyl]-4-[(2,4,5-trimethoxyphenyl)methyl]piperazin-1-ium CAS Name: 1-[(3-nitrophenyl)methyl]-4-[(2,4,5-trimethoxyphenyl)methyl]piperazin-1-ium IUPAC Name: 1-[(3-nitrophenyl)methyl]-4-[(2,4,5-trimethoxyphenyl)methyl]piperazin-1-ium Traditional Name: 1-(3-nitrobenzyl)-4-(2,4,5-trimethoxybenzyl)piperazin-1-ium Formula: C21H28N3O5+ MolecularWeight: 402.46412

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1CN2CC[NH+](CC2)CC3=CC(=CC=C3)[N+](=O)[O-])OC)OC

Isomeric SMILES

COC1=CC(=C(C=C1CN2CC[NH+](CC2)CC3=CC(=CC=C3)[N+](=O)[O-])OC)OC

InChI

InChI=1S/C21H27N3O5/c1-27-19-13-21(29-3)20(28-2)12-17(19)15-23-9-7-22(8-10-23)14-16-5-4-6-18(11-16)24(25)26/h4-6,11-13H,7-10,14-15H2,1-3H3/p+1