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

Systemtic Name: 1-[(2,3-dimethoxyphenyl)methyl]-4-[(4-nitrophenyl)methyl]piperazin-4-ium Openeye Name: 1-[(2,3-dimethoxyphenyl)methyl]-4-[(4-nitrophenyl)methyl]piperazin-4-ium CAS Name: 1-[(2,3-dimethoxyphenyl)methyl]-4-[(4-nitrophenyl)methyl]piperazin-4-ium IUPAC Name: 1-[(2,3-dimethoxyphenyl)methyl]-4-[(4-nitrophenyl)methyl]piperazin-4-ium Traditional Name: 1-(4-nitrobenzyl)-4-o-veratryl-piperazin-1-ium Formula: C20H26N3O4+ MolecularWeight: 372.43814

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1OC)CN2CC[NH+](CC2)CC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

COC1=CC=CC(=C1OC)CN2CC[NH+](CC2)CC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H25N3O4/c1-26-19-5-3-4-17(20(19)27-2)15-22-12-10-21(11-13-22)14-16-6-8-18(9-7-16)23(24)25/h3-9H,10-15H2,1-2H3/p+1