N-[[4-(4-methylpiperazin-4-ium-1-yl)phenyl]methyl]thiophene-3-carboxamide

Systemtic Name: N-[[4-(4-methylpiperazin-4-ium-1-yl)phenyl]methyl]thiophene-3-carboxamide Openeye Name: N-[[4-(4-methylpiperazin-4-ium-1-yl)phenyl]methyl]thiophene-3-carboxamide CAS Name: N-[[4-(4-methyl-1-piperazin-4-iumyl)phenyl]methyl]-3-thiophenecarboxamide IUPAC Name: N-[[4-(4-methylpiperazin-4-ium-1-yl)phenyl]methyl]thiophene-3-carboxamide Traditional Name: N-[4-(4-methylpiperazin-4-ium-1-yl)benzyl]thiophene-3-carboxamide Formula: C17H22N3OS+ MolecularWeight: 316.44108

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C2=CC=C(C=C2)CNC(=O)C3=CSC=C3

Isomeric SMILES

C[NH+]1CCN(CC1)C2=CC=C(C=C2)CNC(=O)C3=CSC=C3

InChI

InChI=1S/C17H21N3OS/c1-19-7-9-20(10-8-19)16-4-2-14(3-5-16)12-18-17(21)15-6-11-22-13-15/h2-6,11,13H,7-10,12H2,1H3,(H,18,21)/p+1