5-methyl-N-[3-[4-[3-[(5-methylthiophen-2-yl)carbonylamino]propyl]piperazin-1-ium-1-yl]propyl]thiophene-2-carboxamide

Systemtic Name: 5-methyl-N-[3-[4-[3-[(5-methylthiophen-2-yl)carbonylamino]propyl]piperazin-1-ium-1-yl]propyl]thiophene-2-carboxamide Openeye Name: 5-methyl-N-[3-[4-[3-[(5-methylthiophene-2-carbonyl)amino]propyl]piperazin-1-ium-1-yl]propyl]thiophene-2-carboxamide CAS Name: 5-methyl-N-[3-[4-[3-[[(5-methyl-2-thiophenyl)-oxomethyl]amino]propyl]-1-piperazin-1-iumyl]propyl]-2-thiophenecarboxamide IUPAC Name: 5-methyl-N-[3-[4-[3-[(5-methylthiophene-2-carbonyl)amino]propyl]piperazin-1-ium-1-yl]propyl]thiophene-2-carboxamide Traditional Name: 5-methyl-N-[3-[4-[3-[(5-methylthiophene-2-carbonyl)amino]propyl]piperazin-1-ium-1-yl]propyl]thiophene-2-carboxamide Formula: C22H33N4O2S2+ MolecularWeight: 449.65302

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(S1)C(=O)NCCC[NH+]2CCN(CC2)CCCNC(=O)C3=CC=C(S3)C

Isomeric SMILES

CC1=CC=C(S1)C(=O)NCCC[NH+]2CCN(CC2)CCCNC(=O)C3=CC=C(S3)C

InChI

InChI=1S/C22H32N4O2S2/c1-17-5-7-19(29-17)21(27)23-9-3-11-25-13-15-26(16-14-25)12-4-10-24-22(28)20-8-6-18(2)30-20/h5-8H,3-4,9-16H2,1-2H3,(H,23,27)(H,24,28)/p+1