2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-3-nitro-pyridin-1-ium

Systemtic Name: 2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-3-nitro-pyridin-1-ium Openeye Name: 2-[(3R,5R)-3,5-dimethyl-1-piperidyl]-3-nitro-pyridin-1-ium CAS Name: 2-[(3R,5R)-3,5-dimethyl-1-piperidinyl]-3-nitropyridin-1-ium IUPAC Name: 2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-3-nitropyridin-1-ium Traditional Name: 2-[(3R,5R)-3,5-dimethylpiperidino]-3-nitro-pyridin-1-ium Formula: C12H18N3O2+ MolecularWeight: 236.29022

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CN(C1)C2=C(C=CC=[NH+]2)[N+](=O)[O-])C

Isomeric SMILES

C[C@@H]1C[C@H](CN(C1)C2=C(C=CC=[NH+]2)[N+](=O)[O-])C

InChI

InChI=1S/C12H17N3O2/c1-9-6-10(2)8-14(7-9)12-11(15(16)17)4-3-5-13-12/h3-5,9-10H,6-8H2,1-2H3/p+1/t9-,10-/m1/s1