4-ethoxy-N-[(1S,2S)-1-(4-ethylpiperazine-1,4-diium-1-yl)-1-thiophen-2-yl-propan-2-yl]benzamide

Systemtic Name: 4-ethoxy-N-[(1S,2S)-1-(4-ethylpiperazine-1,4-diium-1-yl)-1-thiophen-2-yl-propan-2-yl]benzamide Openeye Name: 4-ethoxy-N-[(1S,2S)-2-(4-ethylpiperazine-1,4-diium-1-yl)-1-methyl-2-(2-thienyl)ethyl]benzamide CAS Name: 4-ethoxy-N-[(1S,2S)-1-(4-ethyl-1-piperazine-1,4-diiumyl)-1-thiophen-2-ylpropan-2-yl]benzamide IUPAC Name: 4-ethoxy-N-[(1S,2S)-1-(4-ethylpiperazine-1,4-diium-1-yl)-1-thiophen-2-ylpropan-2-yl]benzamide Traditional Name: 4-ethoxy-N-[(1S,2S)-2-(4-ethylpiperazine-1,4-diium-1-yl)-1-methyl-2-(2-thienyl)ethyl]benzamide Formula: C22H33N3O2S+2 MolecularWeight: 403.58132

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CC[NH+](CC1)C(C2=CC=CS2)C(C)NC(=O)C3=CC=C(C=C3)OCC

Isomeric SMILES

CC[NH+]1CC[NH+](CC1)[C@H](C2=CC=CS2)[C@H](C)NC(=O)C3=CC=C(C=C3)OCC

InChI

InChI=1S/C22H31N3O2S/c1-4-24-12-14-25(15-13-24)21(20-7-6-16-28-20)17(3)23-22(26)18-8-10-19(11-9-18)27-5-2/h6-11,16-17,21H,4-5,12-15H2,1-3H3,(H,23,26)/p+2/t17-,21-/m0/s1