N-(2,3-dimethylquinoxalin-6-yl)-4-pyridin-1-ium-2-yl-piperazine-1-carbothioamide

Systemtic Name: N-(2,3-dimethylquinoxalin-6-yl)-4-pyridin-1-ium-2-yl-piperazine-1-carbothioamide Openeye Name: N-(2,3-dimethylquinoxalin-6-yl)-4-pyridin-1-ium-2-yl-piperazine-1-carbothioamide CAS Name: N-(2,3-dimethyl-6-quinoxalinyl)-4-(2-pyridin-1-iumyl)-1-piperazinecarbothioamide IUPAC Name: N-(2,3-dimethylquinoxalin-6-yl)-4-pyridin-1-ium-2-ylpiperazine-1-carbothioamide Traditional Name: N-(2,3-dimethylquinoxalin-6-yl)-4-pyridin-1-ium-2-yl-piperazine-1-carbothioamide Formula: C20H23N6S+ MolecularWeight: 379.50182

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C=C(C=C2)NC(=S)N3CCN(CC3)C4=CC=CC=[NH+]4)N=C1C

Isomeric SMILES

CC1=NC2=C(C=C(C=C2)NC(=S)N3CCN(CC3)C4=CC=CC=[NH+]4)N=C1C

InChI

InChI=1S/C20H22N6S/c1-14-15(2)23-18-13-16(6-7-17(18)22-14)24-20(27)26-11-9-25(10-12-26)19-5-3-4-8-21-19/h3-8,13H,9-12H2,1-2H3,(H,24,27)/p+1