2-azanyl-6-[5-(4-methylpiperazin-4-ium-1-yl)sulfonylpyridin-1-ium-2-yl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carbonitrile

Systemtic Name: 2-azanyl-6-[5-(4-methylpiperazin-4-ium-1-yl)sulfonylpyridin-1-ium-2-yl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carbonitrile Openeye Name: 2-amino-6-[5-(4-methylpiperazin-4-ium-1-yl)sulfonylpyridin-1-ium-2-yl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carbonitrile CAS Name: 2-amino-6-[5-[(4-methyl-1-piperazin-4-iumyl)sulfonyl]-2-pyridin-1-iumyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carbonitrile IUPAC Name: 2-amino-6-[5-(4-methylpiperazin-4-ium-1-yl)sulfonylpyridin-1-ium-2-yl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carbonitrile Traditional Name: 2-amino-6-[5-(4-methylpiperazin-4-ium-1-yl)sulfonylpyridin-1-ium-2-yl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carbonitrile Formula: C18H24N6O2S2+2 MolecularWeight: 420.55216

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)S(=O)(=O)C2=C[NH+]=C(C=C2)N3CCC4=C(C3)SC(=C4C#N)N

Isomeric SMILES

C[NH+]1CCN(CC1)S(=O)(=O)C2=C[NH+]=C(C=C2)N3CCC4=C(C3)SC(=C4C#N)N

InChI

InChI=1S/C18H22N6O2S2/c1-22-6-8-24(9-7-22)28(25,26)13-2-3-17(21-11-13)23-5-4-14-15(10-19)18(20)27-16(14)12-23/h2-3,11H,4-9,12,20H2,1H3/p+2