1-butoxy-3-[4-(4-chloranyl-2-nitro-phenyl)piperazin-1-yl]propan-2-ol hydrochloride

Systemtic Name: 1-butoxy-3-[4-(4-chloranyl-2-nitro-phenyl)piperazin-1-yl]propan-2-ol hydrochloride Openeye Name: 1-butoxy-3-[4-(4-chloro-2-nitro-phenyl)piperazin-1-yl]propan-2-ol hydrochloride CAS Name: 1-butoxy-3-[4-(4-chloro-2-nitrophenyl)-1-piperazinyl]-2-propanol hydrochloride IUPAC Name: 1-butoxy-3-[4-(4-chloro-2-nitrophenyl)piperazin-1-yl]propan-2-ol hydrochloride Traditional Name: 1-butoxy-3-[4-(4-chloro-2-nitro-phenyl)piperazino]propan-2-ol hydrochloride Formula: C17H27Cl2N3O4 MolecularWeight: 408.31998

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOCC(CN1CCN(CC1)C2=C(C=C(C=C2)Cl)[N+](=O)[O-])O.Cl

Isomeric SMILES

CCCCOCC(CN1CCN(CC1)C2=C(C=C(C=C2)Cl)[N+](=O)[O-])O.Cl

InChI

InChI=1S/C17H26ClN3O4.ClH/c1-2-3-10-25-13-15(22)12-19-6-8-20(9-7-19)16-5-4-14(18)11-17(16)21(23)24;/h4-5,11,15,22H,2-3,6-10,12-13H2,1H3;1H