cyclopropyl-[N-(2-methylquinolin-4-yl)-C-(1,3-thiazol-2-ylazaniumyl)carbonimidoyl]azanium dinitrate

Systemtic Name: cyclopropyl-[N-(2-methylquinolin-4-yl)-C-(1,3-thiazol-2-ylazaniumyl)carbonimidoyl]azanium dinitrate Openeye Name: cyclopropyl-[N-(2-methyl-4-quinolyl)-C-(thiazol-2-ylammonio)carbonimidoyl]ammonium dinitrate CAS Name: cyclopropyl-[(2-methyl-4-quinolinyl)imino-(2-thiazolylammonio)methyl]ammonium dinitrate IUPAC Name: cyclopropyl-[N-(2-methylquinolin-4-yl)-C-(1,3-thiazol-2-ylazaniumyl)carbonimidoyl]azanium dinitrate Traditional Name: cyclopropyl-[N-(2-methyl-4-quinolyl)-C-(thiazol-2-ylammonio)carbonimidoyl]ammonium dinitrate Formula: C17H19N7O6S MolecularWeight: 449.44106

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=CC=CC=C2C(=C1)N=C([NH2+]C3CC3)[NH2+]C4=NC=CS4.[N+](=O)([O-])[O-].[N+](=O)([O-])[O-]

Isomeric SMILES

CC1=NC2=CC=CC=C2C(=C1)N=C([NH2+]C3CC3)[NH2+]C4=NC=CS4.[N+](=O)([O-])[O-].[N+](=O)([O-])[O-]

InChI

InChI=1S/C17H17N5S.2NO3/c1-11-10-15(13-4-2-3-5-14(13)19-11)21-16(20-12-6-7-12)22-17-18-8-9-23-17;2*2-1(3)4/h2-5,8-10,12H,6-7H2,1H3,(H2,18,19,20,21,22);;/q;2*-1/p+2