[(2S)-2-methylpiperidin-1-yl]-(3-nitro-4-piperidin-1-yl-phenyl)methanone

Systemtic Name: [(2S)-2-methylpiperidin-1-yl]-(3-nitro-4-piperidin-1-yl-phenyl)methanone Openeye Name: [(2S)-2-methyl-1-piperidyl]-[3-nitro-4-(1-piperidyl)phenyl]methanone CAS Name: [(2S)-2-methyl-1-piperidinyl]-[3-nitro-4-(1-piperidinyl)phenyl]methanone IUPAC Name: [(2S)-2-methylpiperidin-1-yl]-(3-nitro-4-piperidin-1-ylphenyl)methanone Traditional Name: [(2S)-2-methylpiperidino]-(3-nitro-4-piperidino-phenyl)methanone Formula: C18H25N3O3 MolecularWeight: 331.4094

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCN1C(=O)C2=CC(=C(C=C2)N3CCCCC3)[N+](=O)[O-]

Isomeric SMILES

C[C@H]1CCCCN1C(=O)C2=CC(=C(C=C2)N3CCCCC3)[N+](=O)[O-]

InChI

InChI=1S/C18H25N3O3/c1-14-7-3-6-12-20(14)18(22)15-8-9-16(17(13-15)21(23)24)19-10-4-2-5-11-19/h8-9,13-14H,2-7,10-12H2,1H3/t14-/m0/s1