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

Systemtic Name: (2R)-2-(2-chloranyl-4-nitro-phenoxy)-1-[4-(phenylmethyl)piperazin-4-ium-1-yl]propan-1-one Openeye Name: (2R)-1-(4-benzylpiperazin-4-ium-1-yl)-2-(2-chloro-4-nitro-phenoxy)propan-1-one CAS Name: (2R)-2-(2-chloro-4-nitrophenoxy)-1-[4-(phenylmethyl)-1-piperazin-4-iumyl]-1-propanone IUPAC Name: (2R)-1-(4-benzylpiperazin-4-ium-1-yl)-2-(2-chloro-4-nitrophenoxy)propan-1-one Traditional Name: (2R)-1-(4-benzylpiperazin-4-ium-1-yl)-2-(2-chloro-4-nitro-phenoxy)propan-1-one Formula: C20H23ClN3O4+ MolecularWeight: 404.86732

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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)[N+](=O)[O-])Cl

Isomeric SMILES

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

InChI

InChI=1S/C20H22ClN3O4/c1-15(28-19-8-7-17(24(26)27)13-18(19)21)20(25)23-11-9-22(10-12-23)14-16-5-3-2-4-6-16/h2-8,13,15H,9-12,14H2,1H3/p+1/t15-/m1/s1