(3S,5S)-4,4-dimethyl-3,5-dinitro-1-(phenylmethyl)piperidin-1-ium

Systemtic Name: (3S,5S)-4,4-dimethyl-3,5-dinitro-1-(phenylmethyl)piperidin-1-ium Openeye Name: (3S,5S)-1-benzyl-4,4-dimethyl-3,5-dinitro-piperidin-1-ium CAS Name: (3S,5S)-4,4-dimethyl-3,5-dinitro-1-(phenylmethyl)piperidin-1-ium IUPAC Name: (3S,5S)-1-benzyl-4,4-dimethyl-3,5-dinitropiperidin-1-ium Traditional Name: (3S,5S)-1-benzyl-4,4-dimethyl-3,5-dinitro-piperidin-1-ium Formula: C14H20N3O4+ MolecularWeight: 294.3263

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(C[NH+](CC1[N+](=O)[O-])CC2=CC=CC=C2)[N+](=O)[O-])C

Isomeric SMILES

CC1([C@@H](C[NH+](C[C@H]1[N+](=O)[O-])CC2=CC=CC=C2)[N+](=O)[O-])C

InChI

InChI=1S/C14H19N3O4/c1-14(2)12(16(18)19)9-15(10-13(14)17(20)21)8-11-6-4-3-5-7-11/h3-7,12-13H,8-10H2,1-2H3/p+1/t12-,13-/m1/s1