[(3S,5R)-3,5-dimethylpiperidin-1-yl]-(5-nitrothiophen-2-yl)methanone

Systemtic Name: [(3S,5R)-3,5-dimethylpiperidin-1-yl]-(5-nitrothiophen-2-yl)methanone Openeye Name: [(3S,5R)-3,5-dimethyl-1-piperidyl]-(5-nitro-2-thienyl)methanone CAS Name: [(3S,5R)-3,5-dimethyl-1-piperidinyl]-(5-nitro-2-thiophenyl)methanone IUPAC Name: [(3S,5R)-3,5-dimethylpiperidin-1-yl]-(5-nitrothiophen-2-yl)methanone Traditional Name: [(3S,5R)-3,5-dimethylpiperidino]-(5-nitro-2-thienyl)methanone Formula: C12H16N2O3S MolecularWeight: 268.33204

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CN(C1)C(=O)C2=CC=C(S2)[N+](=O)[O-])C

Isomeric SMILES

C[C@@H]1C[C@@H](CN(C1)C(=O)C2=CC=C(S2)[N+](=O)[O-])C

InChI

InChI=1S/C12H16N2O3S/c1-8-5-9(2)7-13(6-8)12(15)10-3-4-11(18-10)14(16)17/h3-4,8-9H,5-7H2,1-2H3/t8-,9+