[azanyl-(2-methylquinolin-4-yl)azaniumylidene-methyl]-pentyl-(1,3-thiazol-2-yl)azanium dinitrate

Systemtic Name: [azanyl-(2-methylquinolin-4-yl)azaniumylidene-methyl]-pentyl-(1,3-thiazol-2-yl)azanium dinitrate Openeye Name: [amino-[(2-methyl-4-quinolyl)iminio]methyl]-pentyl-thiazol-2-yl-ammonium dinitrate CAS Name: [amino-[(2-methyl-4-quinolinyl)iminio]methyl]-pentyl-(2-thiazolyl)ammonium dinitrate IUPAC Name: [amino-(2-methylquinolin-4-yl)azaniumylidenemethyl]-pentyl-(1,3-thiazol-2-yl)azanium dinitrate Traditional Name: [amino-[(2-methyl-4-quinolyl)iminio]methyl]-amyl-thiazol-2-yl-ammonium dinitrate Formula: C19H25N7O6S MolecularWeight: 479.5101

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC[NH+](C1=NC=CS1)C(=[NH+]C2=CC(=NC3=CC=CC=C32)C)N.[N+](=O)([O-])[O-].[N+](=O)([O-])[O-]

Isomeric SMILES

CCCCC[NH+](C1=NC=CS1)C(=[NH+]C2=CC(=NC3=CC=CC=C32)C)N.[N+](=O)([O-])[O-].[N+](=O)([O-])[O-]

InChI

InChI=1S/C19H23N5S.2NO3/c1-3-4-7-11-24(19-21-10-12-25-19)18(20)23-17-13-14(2)22-16-9-6-5-8-15(16)17;2*2-1(3)4/h5-6,8-10,12-13H,3-4,7,11H2,1-2H3,(H2,20,22,23);;/q;2*-1/p+2