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

Systemtic Name: 2-[[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]-4-nitro-isoindole-1,3-dione Openeye Name: 2-[[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]-4-nitro-isoindoline-1,3-dione CAS Name: 2-[[(3S)-3-methyl-1-piperidin-1-iumyl]methyl]-4-nitroisoindole-1,3-dione IUPAC Name: 2-[[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]-4-nitroisoindole-1,3-dione Traditional Name: 2-[[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]-4-nitro-isoindoline-1,3-quinone Formula: C15H18N3O4+ MolecularWeight: 304.32112

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC[NH+](C1)CN2C(=O)C3=C(C2=O)C(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

C[C@H]1CCC[NH+](C1)CN2C(=O)C3=C(C2=O)C(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C15H17N3O4/c1-10-4-3-7-16(8-10)9-17-14(19)11-5-2-6-12(18(21)22)13(11)15(17)20/h2,5-6,10H,3-4,7-9H2,1H3/p+1/t10-/m0/s1