4,5-dimethyl-2-[[3-(4-methylpiperazin-4-ium-1-yl)quinoxalin-2-yl]amino]thiophene-3-carbonitrile

Systemtic Name: 4,5-dimethyl-2-[[3-(4-methylpiperazin-4-ium-1-yl)quinoxalin-2-yl]amino]thiophene-3-carbonitrile Openeye Name: 4,5-dimethyl-2-[[3-(4-methylpiperazin-4-ium-1-yl)quinoxalin-2-yl]amino]thiophene-3-carbonitrile CAS Name: 4,5-dimethyl-2-[[3-(4-methyl-1-piperazin-4-iumyl)-2-quinoxalinyl]amino]-3-thiophenecarbonitrile IUPAC Name: 4,5-dimethyl-2-[[3-(4-methylpiperazin-4-ium-1-yl)quinoxalin-2-yl]amino]thiophene-3-carbonitrile Traditional Name: 4,5-dimethyl-2-[[3-(4-methylpiperazin-4-ium-1-yl)quinoxalin-2-yl]amino]thiophene-3-carbonitrile Formula: C20H23N6S+ MolecularWeight: 379.50182

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C#N)NC2=NC3=CC=CC=C3N=C2N4CC[NH+](CC4)C)C

Isomeric SMILES

CC1=C(SC(=C1C#N)NC2=NC3=CC=CC=C3N=C2N4CC[NH+](CC4)C)C

InChI

InChI=1S/C20H22N6S/c1-13-14(2)27-20(15(13)12-21)24-18-19(26-10-8-25(3)9-11-26)23-17-7-5-4-6-16(17)22-18/h4-7H,8-11H2,1-3H3,(H,22,24)/p+1