(2R)-1-[4-(phenylmethyl)piperazin-4-ium-1-yl]-2-quinoxalin-2-yloxy-propan-1-one

Systemtic Name: (2R)-1-[4-(phenylmethyl)piperazin-4-ium-1-yl]-2-quinoxalin-2-yloxy-propan-1-one Openeye Name: (2R)-1-(4-benzylpiperazin-4-ium-1-yl)-2-quinoxalin-2-yloxy-propan-1-one CAS Name: (2R)-1-[4-(phenylmethyl)-1-piperazin-4-iumyl]-2-(2-quinoxalinyloxy)-1-propanone IUPAC Name: (2R)-1-(4-benzylpiperazin-4-ium-1-yl)-2-quinoxalin-2-yloxypropan-1-one Traditional Name: (2R)-1-(4-benzylpiperazin-4-ium-1-yl)-2-quinoxalin-2-yloxy-propan-1-one Formula: C22H25N4O2+ MolecularWeight: 377.4595

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CC[NH+](CC1)CC2=CC=CC=C2)OC3=NC4=CC=CC=C4N=C3

Isomeric SMILES

C[C@H](C(=O)N1CC[NH+](CC1)CC2=CC=CC=C2)OC3=NC4=CC=CC=C4N=C3

InChI

InChI=1S/C22H24N4O2/c1-17(28-21-15-23-19-9-5-6-10-20(19)24-21)22(27)26-13-11-25(12-14-26)16-18-7-3-2-4-8-18/h2-10,15,17H,11-14,16H2,1H3/p+1/t17-/m1/s1