1-tert-butyl-1-(6-nitro-5-tributylstannyl-quinolin-2-yl)piperazin-1-ium-2-carboxylic acid

Systemtic Name: 1-tert-butyl-1-(6-nitro-5-tributylstannyl-quinolin-2-yl)piperazin-1-ium-2-carboxylic acid Openeye Name: 1-tert-butyl-1-(6-nitro-5-tributylstannyl-2-quinolyl)piperazin-1-ium-2-carboxylic acid CAS Name: 1-tert-butyl-1-(6-nitro-5-tributylstannyl-2-quinolinyl)-2-piperazin-1-iumcarboxylic acid IUPAC Name: 1-tert-butyl-1-(6-nitro-5-tributylstannylquinolin-2-yl)piperazin-1-ium-2-carboxylic acid Traditional Name: 1-tert-butyl-1-(6-nitro-5-tributylstannyl-2-quinolyl)piperazin-1-ium-2-carboxylic acid Formula: C30H49N4O4Sn+ MolecularWeight: 648.44446

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[Sn](CCCC)(CCCC)C1=C(C=CC2=C1C=CC(=N2)[N+]3(CCNCC3C(=O)O)C(C)(C)C)[N+](=O)[O-]

Isomeric SMILES

CCCC[Sn](CCCC)(CCCC)C1=C(C=CC2=C1C=CC(=N2)[N+]3(CCNCC3C(=O)O)C(C)(C)C)[N+](=O)[O-]

InChI

InChI=1S/C18H21N4O4.3C4H9.Sn/c1-18(2,3)22(9-8-19-11-15(22)17(23)24)16-7-4-12-10-13(21(25)26)5-6-14(12)20-16;3*1-3-4-2;/h4-7,15,19H,8-9,11H2,1-3H3;3*1,3-4H2,2H3;/p+1