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

Systemtic Name: 4-chloranyl-N-[(1S,2S)-1-(4-ethylpiperazine-1,4-diium-1-yl)-1-thiophen-2-yl-propan-2-yl]benzamide Openeye Name: 4-chloro-N-[(1S,2S)-2-(4-ethylpiperazine-1,4-diium-1-yl)-1-methyl-2-(2-thienyl)ethyl]benzamide CAS Name: 4-chloro-N-[(1S,2S)-1-(4-ethyl-1-piperazine-1,4-diiumyl)-1-thiophen-2-ylpropan-2-yl]benzamide IUPAC Name: 4-chloro-N-[(1S,2S)-1-(4-ethylpiperazine-1,4-diium-1-yl)-1-thiophen-2-ylpropan-2-yl]benzamide Traditional Name: 4-chloro-N-[(1S,2S)-2-(4-ethylpiperazine-1,4-diium-1-yl)-1-methyl-2-(2-thienyl)ethyl]benzamide Formula: C20H28ClN3OS+2 MolecularWeight: 393.97382

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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)Cl

Isomeric SMILES

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

InChI

InChI=1S/C20H26ClN3OS/c1-3-23-10-12-24(13-11-23)19(18-5-4-14-26-18)15(2)22-20(25)16-6-8-17(21)9-7-16/h4-9,14-15,19H,3,10-13H2,1-2H3,(H,22,25)/p+2/t15-,19-/m0/s1