oxidanium; copper(1+); piperidin-1-ide-2-carboxylic acid; N-(2H-pyridin-1-id-6-ylmethyl)-1,3-benzothiazol-2-amine

Systemtic Name: oxidanium; copper(1+); piperidin-1-ide-2-carboxylic acid; N-(2H-pyridin-1-id-6-ylmethyl)-1,3-benzothiazol-2-amine Openeye Name: cuprous; oxonium; piperidin-1-ide-2-carboxylic acid; N-(2H-pyridin-1-id-6-ylmethyl)-1,3-benzothiazol-2-amine CAS Name: oxonium; copper(1+); 2-piperidin-1-idecarboxylic acid; N-(2H-pyridin-1-id-6-ylmethyl)-1,3-benzothiazol-2-amine IUPAC Name: oxidanium; copper(1+); piperidin-1-ide-2-carboxylic acid; N-(2H-pyridin-1-id-6-ylmethyl)-1,3-benzothiazol-2-amine Traditional Name: cuprous; oxonium; 1,3-benzothiazol-2-yl(2H-pyridin-1-id-6-ylmethyl)amine; piperidin-1-ide-2-carboxylic acid Formula: C19H25CuN4O3S MolecularWeight: 453.0378

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[N-]C(C1)C(=O)O.C1C=CC=C([N-]1)CNC2=NC3=CC=CC=C3S2.[OH3+].[Cu+]

Isomeric SMILES

C1CC[N-]C(C1)C(=O)O.C1C=CC=C([N-]1)CNC2=NC3=CC=CC=C3S2.[OH3+].[Cu+]

InChI

InChI=1S/C13H12N3S.C6H10NO2.Cu.H2O/c1-2-7-12-11(6-1)16-13(17-12)15-9-10-5-3-4-8-14-10;8-6(9)5-3-1-2-4-7-5;;/h1-7H,8-9H2,(H,15,16);5H,1-4H2,(H,8,9);;1H2/q2*-1;+1;/p+1