3-chloranyl-N-[3-(4-methylpiperazine-1,4-diium-1-yl)propyl]-1-benzothiophene-2-carboxamide dichloride

Systemtic Name: 3-chloranyl-N-[3-(4-methylpiperazine-1,4-diium-1-yl)propyl]-1-benzothiophene-2-carboxamide dichloride Openeye Name: 3-chloro-N-[3-(4-methylpiperazine-1,4-diium-1-yl)propyl]benzothiophene-2-carboxamide dichloride CAS Name: 3-chloro-N-[3-(4-methyl-1-piperazine-1,4-diiumyl)propyl]-1-benzothiophene-2-carboxamide dichloride IUPAC Name: 3-chloro-N-[3-(4-methylpiperazine-1,4-diium-1-yl)propyl]-1-benzothiophene-2-carboxamide dichloride Traditional Name: 3-chloro-N-[3-(4-methylpiperazine-1,4-diium-1-yl)propyl]benzothiophene-2-carboxamide dichloride Formula: C17H24Cl3N3OS MolecularWeight: 424.81596

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CC[NH+](CC1)CCCNC(=O)C2=C(C3=CC=CC=C3S2)Cl.[Cl-].[Cl-]

Isomeric SMILES

C[NH+]1CC[NH+](CC1)CCCNC(=O)C2=C(C3=CC=CC=C3S2)Cl.[Cl-].[Cl-]

InChI

InChI=1S/C17H22ClN3OS.2ClH/c1-20-9-11-21(12-10-20)8-4-7-19-17(22)16-15(18)13-5-2-3-6-14(13)23-16;;/h2-3,5-6H,4,7-12H2,1H3,(H,19,22);2*1H