N'-[(1S,2S)-1-(4-methylpiperazin-4-ium-1-yl)-1-thiophen-2-yl-propan-2-yl]-N-(pyridin-2-ylmethyl)ethanediamide

Systemtic Name: N'-[(1S,2S)-1-(4-methylpiperazin-4-ium-1-yl)-1-thiophen-2-yl-propan-2-yl]-N-(pyridin-2-ylmethyl)ethanediamide Openeye Name: N'-[(1S,2S)-1-methyl-2-(4-methylpiperazin-4-ium-1-yl)-2-(2-thienyl)ethyl]-N-(2-pyridylmethyl)oxamide CAS Name: N'-[(1S,2S)-1-(4-methyl-1-piperazin-4-iumyl)-1-thiophen-2-ylpropan-2-yl]-N-(2-pyridinylmethyl)oxamide IUPAC Name: N'-[(1S,2S)-1-(4-methylpiperazin-4-ium-1-yl)-1-thiophen-2-ylpropan-2-yl]-N-(pyridin-2-ylmethyl)oxamide Traditional Name: N'-[(1S,2S)-1-methyl-2-(4-methylpiperazin-4-ium-1-yl)-2-(2-thienyl)ethyl]-N-(2-pyridylmethyl)oxamide Formula: C20H28N5O2S+ MolecularWeight: 402.53362

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(C1=CC=CS1)N2CC[NH+](CC2)C)NC(=O)C(=O)NCC3=CC=CC=N3

Isomeric SMILES

C[C@@H]([C@@H](C1=CC=CS1)N2CC[NH+](CC2)C)NC(=O)C(=O)NCC3=CC=CC=N3

InChI

InChI=1S/C20H27N5O2S/c1-15(23-20(27)19(26)22-14-16-6-3-4-8-21-16)18(17-7-5-13-28-17)25-11-9-24(2)10-12-25/h3-8,13,15,18H,9-12,14H2,1-2H3,(H,22,26)(H,23,27)/p+1/t15-,18-/m0/s1