(2S,3R,5R,6S)-3,5-dinitro-2,6-diphenyl-piperidin-1-ium-4-one

Systemtic Name: (2S,3R,5R,6S)-3,5-dinitro-2,6-diphenyl-piperidin-1-ium-4-one Openeye Name: (2S,3R,5R,6S)-3,5-dinitro-2,6-diphenyl-piperidin-1-ium-4-one CAS Name: (2S,3R,5R,6S)-3,5-dinitro-2,6-diphenyl-4-piperidin-1-iumone IUPAC Name: (2S,3R,5R,6S)-3,5-dinitro-2,6-diphenylpiperidin-1-ium-4-one Traditional Name: (2S,3R,5R,6S)-3,5-dinitro-2,6-diphenyl-piperidin-1-ium-4-one Formula: C17H16N3O5+ MolecularWeight: 342.32604

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2C(C(=O)C(C([NH2+]2)C3=CC=CC=C3)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)[C@H]2[C@H](C(=O)[C@@H]([C@@H]([NH2+]2)C3=CC=CC=C3)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C17H15N3O5/c21-17-15(19(22)23)13(11-7-3-1-4-8-11)18-14(16(17)20(24)25)12-9-5-2-6-10-12/h1-10,13-16,18H/p+1/t13-,14-,15+,16+/m0/s1