3,3-dimethyl-4-[2-[4-(thiophen-2-ylmethyl)piperazine-1,4-diium-1-yl]ethanoyl]-1H-quinoxalin-2-one

Systemtic Name: 3,3-dimethyl-4-[2-[4-(thiophen-2-ylmethyl)piperazine-1,4-diium-1-yl]ethanoyl]-1H-quinoxalin-2-one Openeye Name: 3,3-dimethyl-4-[2-[4-(2-thienylmethyl)piperazine-1,4-diium-1-yl]acetyl]-1H-quinoxalin-2-one CAS Name: 3,3-dimethyl-4-[1-oxo-2-[4-(thiophen-2-ylmethyl)-1-piperazine-1,4-diiumyl]ethyl]-1H-quinoxalin-2-one IUPAC Name: 3,3-dimethyl-4-[2-[4-(thiophen-2-ylmethyl)piperazine-1,4-diium-1-yl]acetyl]-1H-quinoxalin-2-one Traditional Name: 3,3-dimethyl-4-[2-[4-(2-thenyl)piperazine-1,4-diium-1-yl]acetyl]-1H-quinoxalin-2-one Formula: C21H28N4O2S+2 MolecularWeight: 400.53762

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(=O)NC2=CC=CC=C2N1C(=O)C[NH+]3CC[NH+](CC3)CC4=CC=CS4)C

Isomeric SMILES

CC1(C(=O)NC2=CC=CC=C2N1C(=O)C[NH+]3CC[NH+](CC3)CC4=CC=CS4)C

InChI

InChI=1S/C21H26N4O2S/c1-21(2)20(27)22-17-7-3-4-8-18(17)25(21)19(26)15-24-11-9-23(10-12-24)14-16-6-5-13-28-16/h3-8,13H,9-12,14-15H2,1-2H3,(H,22,27)/p+2