copper(1+); (4Z)-5-(hydroxymethyl)-2-methyl-4-[(2-pyridin-1-ium-2-ylhydrazinyl)methylidene]pyridin-3-one; sulfate

Systemtic Name: copper(1+); (4Z)-5-(hydroxymethyl)-2-methyl-4-[(2-pyridin-1-ium-2-ylhydrazinyl)methylidene]pyridin-3-one; sulfate Openeye Name: cuprous (4Z)-5-(hydroxymethyl)-2-methyl-4-[(2-pyridin-1-ium-2-ylhydrazino)methylene]pyridin-3-one sulfate CAS Name: copper(1+); (4Z)-5-(hydroxymethyl)-2-methyl-4-[(2-pyridin-1-iumylhydrazo)methylidene]-3-pyridinone; sulfate IUPAC Name: copper(1+); (4Z)-5-(hydroxymethyl)-2-methyl-4-[(2-pyridin-1-ium-2-ylhydrazinyl)methylidene]pyridin-3-one; sulfate Traditional Name: cuprous (4Z)-2-methyl-5-methylol-4-[(N'-pyridin-1-ium-2-ylhydrazino)methylene]pyridin-3-one sulfate Formula: C13H15CuN4O6S MolecularWeight: 418.8924

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(C(=CNNC2=CC=CC=[NH+]2)C1=O)CO.[O-]S(=O)(=O)[O-].[Cu+]

Isomeric SMILES

CC1=NC=C(/C(=C/NNC2=CC=CC=[NH+]2)/C1=O)CO.[O-]S(=O)(=O)[O-].[Cu+]

InChI

InChI=1S/C13H14N4O2.Cu.H2O4S/c1-9-13(19)11(10(8-18)6-15-9)7-16-17-12-4-2-3-5-14-12;;1-5(2,3)4/h2-7,16,18H,8H2,1H3,(H,14,17);;(H2,1,2,3,4)/q;+1;/p-1/b11-7-;;