N-[(2S)-3-methyl-1-oxidanylidene-1-[2-(4-phenylpiperazin-1-ium-1-yl)ethylamino]butan-2-yl]thiophene-2-carboxamide

Systemtic Name: N-[(2S)-3-methyl-1-oxidanylidene-1-[2-(4-phenylpiperazin-1-ium-1-yl)ethylamino]butan-2-yl]thiophene-2-carboxamide Openeye Name: N-[(1S)-2-methyl-1-[2-(4-phenylpiperazin-1-ium-1-yl)ethylcarbamoyl]propyl]thiophene-2-carboxamide CAS Name: N-[(2S)-3-methyl-1-oxo-1-[2-(4-phenyl-1-piperazin-1-iumyl)ethylamino]butan-2-yl]-2-thiophenecarboxamide IUPAC Name: N-[(2S)-3-methyl-1-oxo-1-[2-(4-phenylpiperazin-1-ium-1-yl)ethylamino]butan-2-yl]thiophene-2-carboxamide Traditional Name: N-[(1S)-2-methyl-1-[2-(4-phenylpiperazin-1-ium-1-yl)ethylcarbamoyl]propyl]thiophene-2-carboxamide Formula: C22H31N4O2S+ MolecularWeight: 415.57214

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NCC[NH+]1CCN(CC1)C2=CC=CC=C2)NC(=O)C3=CC=CS3

Isomeric SMILES

CC(C)[C@@H](C(=O)NCC[NH+]1CCN(CC1)C2=CC=CC=C2)NC(=O)C3=CC=CS3

InChI

InChI=1S/C22H30N4O2S/c1-17(2)20(24-21(27)19-9-6-16-29-19)22(28)23-10-11-25-12-14-26(15-13-25)18-7-4-3-5-8-18/h3-9,16-17,20H,10-15H2,1-2H3,(H,23,28)(H,24,27)/p+1/t20-/m0/s1