(2R)-2-(4-methoxy-2-nitro-phenoxy)-1-[4-(phenylmethyl)piperazin-4-ium-1-yl]propan-1-one

Systemtic Name: (2R)-2-(4-methoxy-2-nitro-phenoxy)-1-[4-(phenylmethyl)piperazin-4-ium-1-yl]propan-1-one Openeye Name: (2R)-1-(4-benzylpiperazin-4-ium-1-yl)-2-(4-methoxy-2-nitro-phenoxy)propan-1-one CAS Name: (2R)-2-(4-methoxy-2-nitrophenoxy)-1-[4-(phenylmethyl)-1-piperazin-4-iumyl]-1-propanone IUPAC Name: (2R)-1-(4-benzylpiperazin-4-ium-1-yl)-2-(4-methoxy-2-nitrophenoxy)propan-1-one Traditional Name: (2R)-1-(4-benzylpiperazin-4-ium-1-yl)-2-(4-methoxy-2-nitro-phenoxy)propan-1-one Formula: C21H26N3O5+ MolecularWeight: 400.44824

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CC[NH+](CC1)CC2=CC=CC=C2)OC3=C(C=C(C=C3)OC)[N+](=O)[O-]

Isomeric SMILES

C[C@H](C(=O)N1CC[NH+](CC1)CC2=CC=CC=C2)OC3=C(C=C(C=C3)OC)[N+](=O)[O-]

InChI

InChI=1S/C21H25N3O5/c1-16(29-20-9-8-18(28-2)14-19(20)24(26)27)21(25)23-12-10-22(11-13-23)15-17-6-4-3-5-7-17/h3-9,14,16H,10-13,15H2,1-2H3/p+1/t16-/m1/s1