2-(4-methoxyphenyl)-5-nitro-3-oxidanyl-N-[1-(phenylmethyl)piperidin-1-ium-4-yl]-1,2,3-triazol-4-imine

Systemtic Name: 2-(4-methoxyphenyl)-5-nitro-3-oxidanyl-N-[1-(phenylmethyl)piperidin-1-ium-4-yl]-1,2,3-triazol-4-imine Openeye Name: N-(1-benzylpiperidin-1-ium-4-yl)-3-hydroxy-2-(4-methoxyphenyl)-5-nitro-triazol-4-imine CAS Name: 3-hydroxy-2-(4-methoxyphenyl)-5-nitro-N-[1-(phenylmethyl)-4-piperidin-1-iumyl]-4-triazolimine IUPAC Name: N-(1-benzylpiperidin-1-ium-4-yl)-3-hydroxy-2-(4-methoxyphenyl)-5-nitrotriazol-4-imine Traditional Name: (1-benzylpiperidin-1-ium-4-yl)-[3-hydroxy-2-(4-methoxyphenyl)-5-nitro-triazol-4-ylidene]amine Formula: C21H25N6O4+ MolecularWeight: 425.461

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2N=C(C(=NC3CC[NH+](CC3)CC4=CC=CC=C4)N2O)[N+](=O)[O-]

Isomeric SMILES

COC1=CC=C(C=C1)N2N=C(C(=NC3CC[NH+](CC3)CC4=CC=CC=C4)N2O)[N+](=O)[O-]

InChI

InChI=1S/C21H24N6O4/c1-31-19-9-7-18(8-10-19)25-23-21(27(29)30)20(26(25)28)22-17-11-13-24(14-12-17)15-16-5-3-2-4-6-16/h2-10,17,28H,11-15H2,1H3/p+1