(2R)-1-[4-(5-chloranyl-2-methyl-phenyl)piperazin-1-ium-1-yl]-3-(4-nitrophenoxy)propan-2-ol

Systemtic Name: (2R)-1-[4-(5-chloranyl-2-methyl-phenyl)piperazin-1-ium-1-yl]-3-(4-nitrophenoxy)propan-2-ol Openeye Name: (2R)-1-[4-(5-chloro-2-methyl-phenyl)piperazin-1-ium-1-yl]-3-(4-nitrophenoxy)propan-2-ol CAS Name: (2R)-1-[4-(5-chloro-2-methylphenyl)-1-piperazin-1-iumyl]-3-(4-nitrophenoxy)-2-propanol IUPAC Name: (2R)-1-[4-(5-chloro-2-methylphenyl)piperazin-1-ium-1-yl]-3-(4-nitrophenoxy)propan-2-ol Traditional Name: (2R)-1-[4-(5-chloro-2-methyl-phenyl)piperazin-1-ium-1-yl]-3-(4-nitrophenoxy)propan-2-ol Formula: C20H25ClN3O4+ MolecularWeight: 406.8832

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)Cl)N2CC[NH+](CC2)CC(COC3=CC=C(C=C3)[N+](=O)[O-])O

Isomeric SMILES

CC1=C(C=C(C=C1)Cl)N2CC[NH+](CC2)C[C@H](COC3=CC=C(C=C3)[N+](=O)[O-])O

InChI

InChI=1S/C20H24ClN3O4/c1-15-2-3-16(21)12-20(15)23-10-8-22(9-11-23)13-18(25)14-28-19-6-4-17(5-7-19)24(26)27/h2-7,12,18,25H,8-11,13-14H2,1H3/p+1/t18-/m1/s1