4-[(2R)-2-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-ium-1-yl]propanoyl]-1,3-dihydroquinoxalin-2-one

Systemtic Name: 4-[(2R)-2-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-ium-1-yl]propanoyl]-1,3-dihydroquinoxalin-2-one Openeye Name: 4-[(2R)-2-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-ium-1-yl]propanoyl]-1,3-dihydroquinoxalin-2-one CAS Name: 4-[(2R)-2-[4-(1,3-benzothiazol-2-ylmethyl)-1-piperazin-1-iumyl]-1-oxopropyl]-1,3-dihydroquinoxalin-2-one IUPAC Name: 4-[(2R)-2-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-ium-1-yl]propanoyl]-1,3-dihydroquinoxalin-2-one Traditional Name: 4-[(2R)-2-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-ium-1-yl]propanoyl]-1,3-dihydroquinoxalin-2-one Formula: C23H26N5O2S+ MolecularWeight: 436.54984

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CC(=O)NC2=CC=CC=C21)[NH+]3CCN(CC3)CC4=NC5=CC=CC=C5S4

Isomeric SMILES

C[C@H](C(=O)N1CC(=O)NC2=CC=CC=C21)[NH+]3CCN(CC3)CC4=NC5=CC=CC=C5S4

InChI

InChI=1S/C23H25N5O2S/c1-16(23(30)28-14-21(29)24-17-6-2-4-8-19(17)28)27-12-10-26(11-13-27)15-22-25-18-7-3-5-9-20(18)31-22/h2-9,16H,10-15H2,1H3,(H,24,29)/p+1/t16-/m1/s1