[(2R)-2-(4-chloranyl-3-nitro-phenyl)-2-[(2S)-2-methylpiperidin-1-ium-1-yl]ethyl]azanium

Systemtic Name: [(2R)-2-(4-chloranyl-3-nitro-phenyl)-2-[(2S)-2-methylpiperidin-1-ium-1-yl]ethyl]azanium Openeye Name: [(2R)-2-(4-chloro-3-nitro-phenyl)-2-[(2S)-2-methylpiperidin-1-ium-1-yl]ethyl]ammonium CAS Name: [(2R)-2-(4-chloro-3-nitrophenyl)-2-[(2S)-2-methyl-1-piperidin-1-iumyl]ethyl]ammonium IUPAC Name: [(2R)-2-(4-chloro-3-nitrophenyl)-2-[(2S)-2-methylpiperidin-1-ium-1-yl]ethyl]azanium Traditional Name: [(2R)-2-(4-chloro-3-nitro-phenyl)-2-[(2S)-2-methylpiperidin-1-ium-1-yl]ethyl]ammonium Formula: C14H22ClN3O2+2 MolecularWeight: 299.79638

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC[NH+]1C(C[NH3+])C2=CC(=C(C=C2)Cl)[N+](=O)[O-]

Isomeric SMILES

C[C@H]1CCCC[NH+]1[C@@H](C[NH3+])C2=CC(=C(C=C2)Cl)[N+](=O)[O-]

InChI

InChI=1S/C14H20ClN3O2/c1-10-4-2-3-7-17(10)14(9-16)11-5-6-12(15)13(8-11)18(19)20/h5-6,8,10,14H,2-4,7,9,16H2,1H3/p+2/t10-,14-/m0/s1