[(3S,5S)-3,5-dimethylpiperidin-1-yl]-(5-nitro-1-benzothiophen-2-yl)methanone

Systemtic Name: [(3S,5S)-3,5-dimethylpiperidin-1-yl]-(5-nitro-1-benzothiophen-2-yl)methanone Openeye Name: [(3S,5S)-3,5-dimethyl-1-piperidyl]-(5-nitrobenzothiophen-2-yl)methanone CAS Name: [(3S,5S)-3,5-dimethyl-1-piperidinyl]-(5-nitro-1-benzothiophen-2-yl)methanone IUPAC Name: [(3S,5S)-3,5-dimethylpiperidin-1-yl]-(5-nitro-1-benzothiophen-2-yl)methanone Traditional Name: [(3S,5S)-3,5-dimethylpiperidino]-(5-nitrobenzothiophen-2-yl)methanone Formula: C16H18N2O3S MolecularWeight: 318.39072

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CN(C1)C(=O)C2=CC3=C(S2)C=CC(=C3)[N+](=O)[O-])C

Isomeric SMILES

C[C@H]1C[C@@H](CN(C1)C(=O)C2=CC3=C(S2)C=CC(=C3)[N+](=O)[O-])C

InChI

InChI=1S/C16H18N2O3S/c1-10-5-11(2)9-17(8-10)16(19)15-7-12-6-13(18(20)21)3-4-14(12)22-15/h3-4,6-7,10-11H,5,8-9H2,1-2H3/t10-,11-/m0/s1