N-cyclohexyl-N'-[(1S,2S)-1-(4-ethylpiperazine-1,4-diium-1-yl)-1-thiophen-2-yl-propan-2-yl]ethanediamide

Systemtic Name: N-cyclohexyl-N'-[(1S,2S)-1-(4-ethylpiperazine-1,4-diium-1-yl)-1-thiophen-2-yl-propan-2-yl]ethanediamide Openeye Name: N-cyclohexyl-N'-[(1S,2S)-2-(4-ethylpiperazine-1,4-diium-1-yl)-1-methyl-2-(2-thienyl)ethyl]oxamide CAS Name: N-cyclohexyl-N'-[(1S,2S)-1-(4-ethyl-1-piperazine-1,4-diiumyl)-1-thiophen-2-ylpropan-2-yl]oxamide IUPAC Name: N-cyclohexyl-N'-[(1S,2S)-1-(4-ethylpiperazine-1,4-diium-1-yl)-1-thiophen-2-ylpropan-2-yl]oxamide Traditional Name: N-cyclohexyl-N'-[(1S,2S)-2-(4-ethylpiperazine-1,4-diium-1-yl)-1-methyl-2-(2-thienyl)ethyl]oxamide Formula: C21H36N4O2S+2 MolecularWeight: 408.60114

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CC[NH+](CC1)C(C2=CC=CS2)C(C)NC(=O)C(=O)NC3CCCCC3

Isomeric SMILES

CC[NH+]1CC[NH+](CC1)[C@H](C2=CC=CS2)[C@H](C)NC(=O)C(=O)NC3CCCCC3

InChI

InChI=1S/C21H34N4O2S/c1-3-24-11-13-25(14-12-24)19(18-10-7-15-28-18)16(2)22-20(26)21(27)23-17-8-5-4-6-9-17/h7,10,15-17,19H,3-6,8-9,11-14H2,1-2H3,(H,22,26)(H,23,27)/p+2/t16-,19-/m0/s1