3-azaniumylpropyl-(4-oxidanylidene-1H-quinolin-2-yl)azanium dichloride

Systemtic Name: 3-azaniumylpropyl-(4-oxidanylidene-1H-quinolin-2-yl)azanium dichloride Openeye Name: 3-azaniumylpropyl-(4-oxo-1H-quinolin-2-yl)ammonium dichloride CAS Name: 3-ammoniopropyl-(4-oxo-1H-quinolin-2-yl)ammonium dichloride IUPAC Name: 3-azaniumylpropyl-(4-oxo-1H-quinolin-2-yl)azanium dichloride Traditional Name: 3-ammoniopropyl-(4-keto-1H-quinolin-2-yl)ammonium dichloride Formula: C12H17Cl2N3O MolecularWeight: 290.18888

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)C=C(N2)[NH2+]CCC[NH3+].[Cl-].[Cl-]

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)C=C(N2)[NH2+]CCC[NH3+].[Cl-].[Cl-]

InChI

InChI=1S/C12H15N3O.2ClH/c13-6-3-7-14-12-8-11(16)9-4-1-2-5-10(9)15-12;;/h1-2,4-5,8H,3,6-7,13H2,(H2,14,15,16);2*1H