(E)-[(5-methoxy-3-methyl-1-phenyl-4H-pyrazol-1-ium-4-yl)-methyl-amino]-(6-oxidanylidenecyclohexa-2,4-dien-1-ylidene)azanium; nickel

Systemtic Name: (E)-[(5-methoxy-3-methyl-1-phenyl-4H-pyrazol-1-ium-4-yl)-methyl-amino]-(6-oxidanylidenecyclohexa-2,4-dien-1-ylidene)azanium; nickel Openeye Name: (E)-[(5-methoxy-3-methyl-1-phenyl-4H-pyrazol-1-ium-4-yl)-methyl-amino]-(6-oxocyclohexa-2,4-dien-1-ylidene)ammonium; nickel CAS Name: (E)-[(5-methoxy-3-methyl-1-phenyl-4H-pyrazol-1-ium-4-yl)-methylamino]-(6-oxo-1-cyclohexa-2,4-dienylidene)ammonium; nickel IUPAC Name: (E)-[(5-methoxy-3-methyl-1-phenyl-4H-pyrazol-1-ium-4-yl)-methylamino]-(6-oxocyclohexa-2,4-dien-1-ylidene)azanium; nickel Traditional Name: (E)-(6-ketocyclohexa-2,4-dien-1-ylidene)-[(5-methoxy-3-methyl-1-phenyl-4H-pyrazol-1-ium-4-yl)-methyl-amino]ammonium; nickel Formula: C18H20N4NiO2+2 MolecularWeight: 383.0704

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Descriptors Computed from Structure

Canonical SMILES:

CC1=N[N+](=C(C1N(C)[NH+]=C2C=CC=CC2=O)OC)C3=CC=CC=C3.[Ni]

Isomeric SMILES

CC1=N[N+](=C(C1N(C)/[NH+]=C/2\C=CC=CC2=O)OC)C3=CC=CC=C3.[Ni]

InChI

InChI=1S/C18H19N4O2.Ni/c1-13-17(21(2)20-15-11-7-8-12-16(15)23)18(24-3)22(19-13)14-9-5-4-6-10-14;/h4-12,17H,1-3H3;/q+1;/p+1/b20-15+;