[(3S,5S)-3,5-dimethylpiperidin-1-yl]-(3-nitro-4-pyrrolidin-1-yl-phenyl)methanone

Systemtic Name: [(3S,5S)-3,5-dimethylpiperidin-1-yl]-(3-nitro-4-pyrrolidin-1-yl-phenyl)methanone Openeye Name: [(3S,5S)-3,5-dimethyl-1-piperidyl]-(3-nitro-4-pyrrolidin-1-yl-phenyl)methanone CAS Name: [(3S,5S)-3,5-dimethyl-1-piperidinyl]-[3-nitro-4-(1-pyrrolidinyl)phenyl]methanone IUPAC Name: [(3S,5S)-3,5-dimethylpiperidin-1-yl]-(3-nitro-4-pyrrolidin-1-ylphenyl)methanone Traditional Name: [(3S,5S)-3,5-dimethylpiperidino]-(3-nitro-4-pyrrolidino-phenyl)methanone Formula: C18H25N3O3 MolecularWeight: 331.4094

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CN(C1)C(=O)C2=CC(=C(C=C2)N3CCCC3)[N+](=O)[O-])C

Isomeric SMILES

C[C@H]1C[C@@H](CN(C1)C(=O)C2=CC(=C(C=C2)N3CCCC3)[N+](=O)[O-])C

InChI

InChI=1S/C18H25N3O3/c1-13-9-14(2)12-20(11-13)18(22)15-5-6-16(17(10-15)21(23)24)19-7-3-4-8-19/h5-6,10,13-14H,3-4,7-9,11-12H2,1-2H3/t13-,14-/m0/s1