(5-nitroindol-1-yl)methyl 1-methylquinolin-1-ium-3-carboxylate

Systemtic Name: (5-nitroindol-1-yl)methyl 1-methylquinolin-1-ium-3-carboxylate Openeye Name: (5-nitroindol-1-yl)methyl 1-methylquinolin-1-ium-3-carboxylate CAS Name: 1-methyl-3-quinolin-1-iumcarboxylic acid (5-nitro-1-indolyl)methyl ester IUPAC Name: (5-nitroindol-1-yl)methyl 1-methylquinolin-1-ium-3-carboxylate Traditional Name: 1-methylquinolin-1-ium-3-carboxylic acid (5-nitroindol-1-yl)methyl ester Formula: C20H16N3O4+ MolecularWeight: 362.35874

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CC(=CC2=CC=CC=C21)C(=O)OCN3C=CC4=C3C=CC(=C4)[N+](=O)[O-]

Isomeric SMILES

C[N+]1=CC(=CC2=CC=CC=C21)C(=O)OCN3C=CC4=C3C=CC(=C4)[N+](=O)[O-]

InChI

InChI=1S/C20H16N3O4/c1-21-12-16(10-14-4-2-3-5-18(14)21)20(24)27-13-22-9-8-15-11-17(23(25)26)6-7-19(15)22/h2-12H,13H2,1H3/q+1