N-[(2S)-2-(1,3-benzodioxol-5-yl)-2-(4-methylpiperazine-1,4-diium-1-yl)ethyl]thiophene-2-carboxamide

Systemtic Name: N-[(2S)-2-(1,3-benzodioxol-5-yl)-2-(4-methylpiperazine-1,4-diium-1-yl)ethyl]thiophene-2-carboxamide Openeye Name: N-[(2S)-2-(1,3-benzodioxol-5-yl)-2-(4-methylpiperazine-1,4-diium-1-yl)ethyl]thiophene-2-carboxamide CAS Name: N-[(2S)-2-(1,3-benzodioxol-5-yl)-2-(4-methyl-1-piperazine-1,4-diiumyl)ethyl]-2-thiophenecarboxamide IUPAC Name: N-[(2S)-2-(1,3-benzodioxol-5-yl)-2-(4-methylpiperazine-1,4-diium-1-yl)ethyl]thiophene-2-carboxamide Traditional Name: N-[(2S)-2-(1,3-benzodioxol-5-yl)-2-(4-methylpiperazine-1,4-diium-1-yl)ethyl]thiophene-2-carboxamide Formula: C19H25N3O3S+2 MolecularWeight: 375.4851

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CC[NH+](CC1)C(CNC(=O)C2=CC=CS2)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

C[NH+]1CC[NH+](CC1)[C@H](CNC(=O)C2=CC=CS2)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C19H23N3O3S/c1-21-6-8-22(9-7-21)15(12-20-19(23)18-3-2-10-26-18)14-4-5-16-17(11-14)25-13-24-16/h2-5,10-11,15H,6-9,12-13H2,1H3,(H,20,23)/p+2/t15-/m1/s1