2-methyl-6-(3-morpholin-4-ium-4-ylpropyliminomethyl)-4-nitro-phenolate

Systemtic Name: 2-methyl-6-(3-morpholin-4-ium-4-ylpropyliminomethyl)-4-nitro-phenolate Openeye Name: 2-methyl-6-(3-morpholin-4-ium-4-ylpropyliminomethyl)-4-nitro-phenolate CAS Name: 2-methyl-6-[3-(4-morpholin-4-iumyl)propyliminomethyl]-4-nitrophenolate IUPAC Name: 2-methyl-6-(3-morpholin-4-ium-4-ylpropyliminomethyl)-4-nitrophenolate Traditional Name: 2-methyl-6-(3-morpholin-4-ium-4-ylpropyliminomethyl)-4-nitro-phenolate Formula: C15H21N3O4 MolecularWeight: 307.34494

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC(=C1)[N+](=O)[O-])C=NCCC[NH+]2CCOCC2)[O-]

Isomeric SMILES

CC1=C(C(=CC(=C1)[N+](=O)[O-])C=NCCC[NH+]2CCOCC2)[O-]

InChI

InChI=1S/C15H21N3O4/c1-12-9-14(18(20)21)10-13(15(12)19)11-16-3-2-4-17-5-7-22-8-6-17/h9-11,19H,2-8H2,1H3