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

Systemtic Name: 1-(5-bromanyl-6-nitro-quinolin-2-yl)-1-tert-butyl-piperazin-1-ium-2-carboxylic acid Openeye Name: 1-(5-bromo-6-nitro-2-quinolyl)-1-tert-butyl-piperazin-1-ium-2-carboxylic acid CAS Name: 1-(5-bromo-6-nitro-2-quinolinyl)-1-tert-butyl-2-piperazin-1-iumcarboxylic acid IUPAC Name: 1-(5-bromo-6-nitroquinolin-2-yl)-1-tert-butylpiperazin-1-ium-2-carboxylic acid Traditional Name: 1-(5-bromo-6-nitro-2-quinolyl)-1-tert-butyl-piperazin-1-ium-2-carboxylic acid Formula: C18H22BrN4O4+ MolecularWeight: 438.29568

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)[N+]1(CCNCC1C(=O)O)C2=NC3=C(C=C2)C(=C(C=C3)[N+](=O)[O-])Br

Isomeric SMILES

CC(C)(C)[N+]1(CCNCC1C(=O)O)C2=NC3=C(C=C2)C(=C(C=C3)[N+](=O)[O-])Br

InChI

InChI=1S/C18H21BrN4O4/c1-18(2,3)23(9-8-20-10-14(23)17(24)25)15-7-4-11-12(21-15)5-6-13(16(11)19)22(26)27/h4-7,14,20H,8-10H2,1-3H3/p+1