(2S)-1-butoxy-3-[4-(4-nitrophenyl)piperazin-1-ium-1-yl]propan-2-ol

Systemtic Name: (2S)-1-butoxy-3-[4-(4-nitrophenyl)piperazin-1-ium-1-yl]propan-2-ol Openeye Name: (2S)-1-butoxy-3-[4-(4-nitrophenyl)piperazin-1-ium-1-yl]propan-2-ol CAS Name: (2S)-1-butoxy-3-[4-(4-nitrophenyl)-1-piperazin-1-iumyl]-2-propanol IUPAC Name: (2S)-1-butoxy-3-[4-(4-nitrophenyl)piperazin-1-ium-1-yl]propan-2-ol Traditional Name: (2S)-1-butoxy-3-[4-(4-nitrophenyl)piperazin-1-ium-1-yl]propan-2-ol Formula: C17H28N3O4+ MolecularWeight: 338.42192

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOCC(C[NH+]1CCN(CC1)C2=CC=C(C=C2)[N+](=O)[O-])O

Isomeric SMILES

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

InChI

InChI=1S/C17H27N3O4/c1-2-3-12-24-14-17(21)13-18-8-10-19(11-9-18)15-4-6-16(7-5-15)20(22)23/h4-7,17,21H,2-3,8-14H2,1H3/p+1/t17-/m0/s1