(2S)-1-[4-(2-chloranyl-4-nitro-phenyl)piperazin-1-ium-1-yl]-3-methoxy-propan-2-ol

Systemtic Name: (2S)-1-[4-(2-chloranyl-4-nitro-phenyl)piperazin-1-ium-1-yl]-3-methoxy-propan-2-ol Openeye Name: (2S)-1-[4-(2-chloro-4-nitro-phenyl)piperazin-1-ium-1-yl]-3-methoxy-propan-2-ol CAS Name: (2S)-1-[4-(2-chloro-4-nitrophenyl)-1-piperazin-1-iumyl]-3-methoxy-2-propanol IUPAC Name: (2S)-1-[4-(2-chloro-4-nitrophenyl)piperazin-1-ium-1-yl]-3-methoxypropan-2-ol Traditional Name: (2S)-1-[4-(2-chloro-4-nitro-phenyl)piperazin-1-ium-1-yl]-3-methoxy-propan-2-ol Formula: C14H21ClN3O4+ MolecularWeight: 330.78724

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COCC(C[NH+]1CCN(CC1)C2=C(C=C(C=C2)[N+](=O)[O-])Cl)O

Isomeric SMILES

COC[C@H](C[NH+]1CCN(CC1)C2=C(C=C(C=C2)[N+](=O)[O-])Cl)O

InChI

InChI=1S/C14H20ClN3O4/c1-22-10-12(19)9-16-4-6-17(7-5-16)14-3-2-11(18(20)21)8-13(14)15/h2-3,8,12,19H,4-7,9-10H2,1H3/p+1/t12-/m0/s1