1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-2-(3-methylquinoxalin-2-yl)sulfanyl-ethanone

Systemtic Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-2-(3-methylquinoxalin-2-yl)sulfanyl-ethanone Openeye Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-2-(3-methylquinoxalin-2-yl)sulfanyl-ethanone CAS Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazin-4-iumyl]-2-[(3-methyl-2-quinoxalinyl)thio]ethanone IUPAC Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-2-(3-methylquinoxalin-2-yl)sulfanylethanone Traditional Name: 2-[(3-methylquinoxalin-2-yl)thio]-1-(4-piperonylpiperazin-4-ium-1-yl)ethanone Formula: C23H25N4O3S+ MolecularWeight: 437.5346

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=CC=CC=C2N=C1SCC(=O)N3CC[NH+](CC3)CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

CC1=NC2=CC=CC=C2N=C1SCC(=O)N3CC[NH+](CC3)CC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C23H24N4O3S/c1-16-23(25-19-5-3-2-4-18(19)24-16)31-14-22(28)27-10-8-26(9-11-27)13-17-6-7-20-21(12-17)30-15-29-20/h2-7,12H,8-11,13-15H2,1H3/p+1