2-decyl-1-(2-methylquinolin-4-yl)-3-(1,3-thiazol-2-yl)guanidine dinitrate

Systemtic Name: 2-decyl-1-(2-methylquinolin-4-yl)-3-(1,3-thiazol-2-yl)guanidine dinitrate Openeye Name: 2-decyl-1-(2-methyl-4-quinolyl)-3-thiazol-2-yl-guanidine dinitrate CAS Name: 2-decyl-1-(2-methyl-4-quinolinyl)-3-(2-thiazolyl)guanidine dinitrate IUPAC Name: 2-decyl-1-(2-methylquinolin-4-yl)-3-(1,3-thiazol-2-yl)guanidine dinitrate Traditional Name: 2-decyl-1-(2-methyl-4-quinolyl)-3-thiazol-2-yl-guanidine dinitrate Formula: C24H33N7O6S-2 MolecularWeight: 547.62712

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCN=C(NC1=CC(=NC2=CC=CC=C21)C)NC3=NC=CS3.[N+](=O)([O-])[O-].[N+](=O)([O-])[O-]

Isomeric SMILES

CCCCCCCCCCN=C(NC1=CC(=NC2=CC=CC=C21)C)NC3=NC=CS3.[N+](=O)([O-])[O-].[N+](=O)([O-])[O-]

InChI

InChI=1S/C24H33N5S.2NO3/c1-3-4-5-6-7-8-9-12-15-25-23(29-24-26-16-17-30-24)28-22-18-19(2)27-21-14-11-10-13-20(21)22;2*2-1(3)4/h10-11,13-14,16-18H,3-9,12,15H2,1-2H3,(H2,25,26,27,28,29);;/q;2*-1