(3S)-1-[(2-chloranyl-5-nitro-phenyl)methyl]piperidin-1-ium-3-ol

Systemtic Name: (3S)-1-[(2-chloranyl-5-nitro-phenyl)methyl]piperidin-1-ium-3-ol Openeye Name: (3S)-1-[(2-chloro-5-nitro-phenyl)methyl]piperidin-1-ium-3-ol CAS Name: (3S)-1-[(2-chloro-5-nitrophenyl)methyl]-3-piperidin-1-iumol IUPAC Name: (3S)-1-[(2-chloro-5-nitrophenyl)methyl]piperidin-1-ium-3-ol Traditional Name: (3S)-1-(2-chloro-5-nitro-benzyl)piperidin-1-ium-3-ol Formula: C12H16ClN2O3+ MolecularWeight: 271.72004

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)CC2=C(C=CC(=C2)[N+](=O)[O-])Cl)O

Isomeric SMILES

C1C[C@@H](C[NH+](C1)CC2=C(C=CC(=C2)[N+](=O)[O-])Cl)O

InChI

InChI=1S/C12H15ClN2O3/c13-12-4-3-10(15(17)18)6-9(12)7-14-5-1-2-11(16)8-14/h3-4,6,11,16H,1-2,5,7-8H2/p+1/t11-/m0/s1