1-[(4,5-dimethoxy-2-nitro-phenyl)methyl]-4-(pyridin-3-ylmethyl)piperazin-4-ium

Systemtic Name: 1-[(4,5-dimethoxy-2-nitro-phenyl)methyl]-4-(pyridin-3-ylmethyl)piperazin-4-ium Openeye Name: 1-[(4,5-dimethoxy-2-nitro-phenyl)methyl]-4-(3-pyridylmethyl)piperazin-4-ium CAS Name: 1-[(4,5-dimethoxy-2-nitrophenyl)methyl]-4-(3-pyridinylmethyl)piperazin-4-ium IUPAC Name: 1-[(4,5-dimethoxy-2-nitrophenyl)methyl]-4-(pyridin-3-ylmethyl)piperazin-4-ium Traditional Name: 1-(4,5-dimethoxy-2-nitro-benzyl)-4-(3-pyridylmethyl)piperazin-4-ium Formula: C19H25N4O4+ MolecularWeight: 373.4262

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)CN2CC[NH+](CC2)CC3=CN=CC=C3)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C(=C1)CN2CC[NH+](CC2)CC3=CN=CC=C3)[N+](=O)[O-])OC

InChI

InChI=1S/C19H24N4O4/c1-26-18-10-16(17(23(24)25)11-19(18)27-2)14-22-8-6-21(7-9-22)13-15-4-3-5-20-12-15/h3-5,10-12H,6-9,13-14H2,1-2H3/p+1