3-[(2S,3R,5R,6R)-4,4-dimethyl-3,5-dinitro-6-pyridin-3-yl-piperidin-1-ium-2-yl]pyridine

Systemtic Name: 3-[(2S,3R,5R,6R)-4,4-dimethyl-3,5-dinitro-6-pyridin-3-yl-piperidin-1-ium-2-yl]pyridine Openeye Name: 3-[(2S,3R,5R,6R)-4,4-dimethyl-3,5-dinitro-6-(3-pyridyl)piperidin-1-ium-2-yl]pyridine CAS Name: 3-[(2S,3R,5R,6R)-4,4-dimethyl-3,5-dinitro-6-(3-pyridinyl)-2-piperidin-1-iumyl]pyridine IUPAC Name: 3-[(2S,3R,5R,6R)-4,4-dimethyl-3,5-dinitro-6-pyridin-3-ylpiperidin-1-ium-2-yl]pyridine Traditional Name: 3-[(2S,3R,5R,6R)-4,4-dimethyl-3,5-dinitro-6-(3-pyridyl)piperidin-1-ium-2-yl]pyridine Formula: C17H20N5O4+ MolecularWeight: 358.3718

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(C([NH2+]C(C1[N+](=O)[O-])C2=CN=CC=C2)C3=CN=CC=C3)[N+](=O)[O-])C

Isomeric SMILES

CC1([C@H]([C@@H]([NH2+][C@@H]([C@@H]1[N+](=O)[O-])C2=CN=CC=C2)C3=CN=CC=C3)[N+](=O)[O-])C

InChI

InChI=1S/C17H19N5O4/c1-17(2)15(21(23)24)13(11-5-3-7-18-9-11)20-14(16(17)22(25)26)12-6-4-8-19-10-12/h3-10,13-16,20H,1-2H3/p+1/t13-,14+,15-,16-/m0/s1