6-(5-nitroindol-1-yl)hexyl 1-methylquinolin-1-ium-3-carboxylate

Systemtic Name: 6-(5-nitroindol-1-yl)hexyl 1-methylquinolin-1-ium-3-carboxylate Openeye Name: 6-(5-nitroindol-1-yl)hexyl 1-methylquinolin-1-ium-3-carboxylate CAS Name: 1-methyl-3-quinolin-1-iumcarboxylic acid 6-(5-nitro-1-indolyl)hexyl ester IUPAC Name: 6-(5-nitroindol-1-yl)hexyl 1-methylquinolin-1-ium-3-carboxylate Traditional Name: 1-methylquinolin-1-ium-3-carboxylic acid 6-(5-nitroindol-1-yl)hexyl ester Formula: C25H26N3O4+ MolecularWeight: 432.49164

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CC(=CC2=CC=CC=C21)C(=O)OCCCCCCN3C=CC4=C3C=CC(=C4)[N+](=O)[O-]

Isomeric SMILES

C[N+]1=CC(=CC2=CC=CC=C21)C(=O)OCCCCCCN3C=CC4=C3C=CC(=C4)[N+](=O)[O-]

InChI

InChI=1S/C25H26N3O4/c1-26-18-21(16-19-8-4-5-9-23(19)26)25(29)32-15-7-3-2-6-13-27-14-12-20-17-22(28(30)31)10-11-24(20)27/h4-5,8-12,14,16-18H,2-3,6-7,13,15H2,1H3/q+1