3,6-bis(chloranyl)-N-(4-methylpiperazin-4-ium-1-yl)-1-benzothiophene-2-carboxamide

Systemtic Name: 3,6-bis(chloranyl)-N-(4-methylpiperazin-4-ium-1-yl)-1-benzothiophene-2-carboxamide Openeye Name: 3,6-dichloro-N-(4-methylpiperazin-4-ium-1-yl)benzothiophene-2-carboxamide CAS Name: 3,6-dichloro-N-(4-methyl-1-piperazin-4-iumyl)-1-benzothiophene-2-carboxamide IUPAC Name: 3,6-dichloro-N-(4-methylpiperazin-4-ium-1-yl)-1-benzothiophene-2-carboxamide Traditional Name: 3,6-dichloro-N-(4-methylpiperazin-4-ium-1-yl)benzothiophene-2-carboxamide Formula: C14H16Cl2N3OS+ MolecularWeight: 345.26734

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)NC(=O)C2=C(C3=C(S2)C=C(C=C3)Cl)Cl

Isomeric SMILES

C[NH+]1CCN(CC1)NC(=O)C2=C(C3=C(S2)C=C(C=C3)Cl)Cl

InChI

InChI=1S/C14H15Cl2N3OS/c1-18-4-6-19(7-5-18)17-14(20)13-12(16)10-3-2-9(15)8-11(10)21-13/h2-3,8H,4-7H2,1H3,(H,17,20)/p+1