(2R)-1-[4-(4-methylphenyl)piperazin-1-ium-1-yl]-3-(4-nitrophenoxy)propan-2-ol

Systemtic Name: (2R)-1-[4-(4-methylphenyl)piperazin-1-ium-1-yl]-3-(4-nitrophenoxy)propan-2-ol Openeye Name: (2R)-1-(4-nitrophenoxy)-3-[4-(p-tolyl)piperazin-1-ium-1-yl]propan-2-ol CAS Name: (2R)-1-[4-(4-methylphenyl)-1-piperazin-1-iumyl]-3-(4-nitrophenoxy)-2-propanol IUPAC Name: (2R)-1-[4-(4-methylphenyl)piperazin-1-ium-1-yl]-3-(4-nitrophenoxy)propan-2-ol Traditional Name: (2R)-1-(4-nitrophenoxy)-3-[4-(p-tolyl)piperazin-1-ium-1-yl]propan-2-ol Formula: C20H26N3O4+ MolecularWeight: 372.43814

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H25N3O4/c1-16-2-4-17(5-3-16)22-12-10-21(11-13-22)14-19(24)15-27-20-8-6-18(7-9-20)23(25)26/h2-9,19,24H,10-15H2,1H3/p+1/t19-/m1/s1