2-[[(2S)-2-ethylmorpholin-4-ium-4-yl]methyl]-4-nitro-isoindole-1,3-dione

Systemtic Name: 2-[[(2S)-2-ethylmorpholin-4-ium-4-yl]methyl]-4-nitro-isoindole-1,3-dione Openeye Name: 2-[[(2S)-2-ethylmorpholin-4-ium-4-yl]methyl]-4-nitro-isoindoline-1,3-dione CAS Name: 2-[[(2S)-2-ethyl-4-morpholin-4-iumyl]methyl]-4-nitroisoindole-1,3-dione IUPAC Name: 2-[[(2S)-2-ethylmorpholin-4-ium-4-yl]methyl]-4-nitroisoindole-1,3-dione Traditional Name: 2-[[(2S)-2-ethylmorpholin-4-ium-4-yl]methyl]-4-nitro-isoindoline-1,3-quinone Formula: C15H18N3O5+ MolecularWeight: 320.32052

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C[NH+](CCO1)CN2C(=O)C3=C(C2=O)C(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC[C@H]1C[NH+](CCO1)CN2C(=O)C3=C(C2=O)C(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C15H17N3O5/c1-2-10-8-16(6-7-23-10)9-17-14(19)11-4-3-5-12(18(21)22)13(11)15(17)20/h3-5,10H,2,6-9H2,1H3/p+1/t10-/m0/s1