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

Systemtic Name: [(2R)-2-(4-chloranyl-3-nitro-phenyl)-2-[(2S)-2-ethylpiperidin-1-ium-1-yl]ethyl]azanium Openeye Name: [(2R)-2-(4-chloro-3-nitro-phenyl)-2-[(2S)-2-ethylpiperidin-1-ium-1-yl]ethyl]ammonium CAS Name: [(2R)-2-(4-chloro-3-nitrophenyl)-2-[(2S)-2-ethyl-1-piperidin-1-iumyl]ethyl]ammonium IUPAC Name: [(2R)-2-(4-chloro-3-nitrophenyl)-2-[(2S)-2-ethylpiperidin-1-ium-1-yl]ethyl]azanium Traditional Name: [(2R)-2-(4-chloro-3-nitro-phenyl)-2-[(2S)-2-ethylpiperidin-1-ium-1-yl]ethyl]ammonium Formula: C15H24ClN3O2+2 MolecularWeight: 313.82296

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1CCCC[NH+]1C(C[NH3+])C2=CC(=C(C=C2)Cl)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C15H22ClN3O2/c1-2-12-5-3-4-8-18(12)15(10-17)11-6-7-13(16)14(9-11)19(20)21/h6-7,9,12,15H,2-5,8,10,17H2,1H3/p+2/t12-,15-/m0/s1