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

Systemtic Name: N-[(1S,2S)-1-(4-ethylpiperazine-1,4-diium-1-yl)-1-thiophen-2-yl-propan-2-yl]-4-nitro-benzamide Openeye Name: N-[(1S,2S)-2-(4-ethylpiperazine-1,4-diium-1-yl)-1-methyl-2-(2-thienyl)ethyl]-4-nitro-benzamide CAS Name: N-[(1S,2S)-1-(4-ethyl-1-piperazine-1,4-diiumyl)-1-thiophen-2-ylpropan-2-yl]-4-nitrobenzamide IUPAC Name: N-[(1S,2S)-1-(4-ethylpiperazine-1,4-diium-1-yl)-1-thiophen-2-ylpropan-2-yl]-4-nitrobenzamide Traditional Name: N-[(1S,2S)-2-(4-ethylpiperazine-1,4-diium-1-yl)-1-methyl-2-(2-thienyl)ethyl]-4-nitro-benzamide Formula: C20H28N4O3S+2 MolecularWeight: 404.52632

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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)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C20H26N4O3S/c1-3-22-10-12-23(13-11-22)19(18-5-4-14-28-18)15(2)21-20(25)16-6-8-17(9-7-16)24(26)27/h4-9,14-15,19H,3,10-13H2,1-2H3,(H,21,25)/p+2/t15-,19-/m0/s1