N-[4-(2-oxidanylidenepyrrolidin-1-yl)phenyl]-2-[4-(thiophen-2-ylmethyl)piperazine-1,4-diium-1-yl]ethanamide

Systemtic Name: N-[4-(2-oxidanylidenepyrrolidin-1-yl)phenyl]-2-[4-(thiophen-2-ylmethyl)piperazine-1,4-diium-1-yl]ethanamide Openeye Name: N-[4-(2-oxopyrrolidin-1-yl)phenyl]-2-[4-(2-thienylmethyl)piperazine-1,4-diium-1-yl]acetamide CAS Name: N-[4-(2-oxo-1-pyrrolidinyl)phenyl]-2-[4-(thiophen-2-ylmethyl)-1-piperazine-1,4-diiumyl]acetamide IUPAC Name: N-[4-(2-oxopyrrolidin-1-yl)phenyl]-2-[4-(thiophen-2-ylmethyl)piperazine-1,4-diium-1-yl]acetamide Traditional Name: N-[4-(2-ketopyrrolidino)phenyl]-2-[4-(2-thenyl)piperazine-1,4-diium-1-yl]acetamide Formula: C21H28N4O2S+2 MolecularWeight: 400.53762

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)N(C1)C2=CC=C(C=C2)NC(=O)C[NH+]3CC[NH+](CC3)CC4=CC=CS4

Isomeric SMILES

C1CC(=O)N(C1)C2=CC=C(C=C2)NC(=O)C[NH+]3CC[NH+](CC3)CC4=CC=CS4

InChI

InChI=1S/C21H26N4O2S/c26-20(16-24-12-10-23(11-13-24)15-19-3-2-14-28-19)22-17-5-7-18(8-6-17)25-9-1-4-21(25)27/h2-3,5-8,14H,1,4,9-13,15-16H2,(H,22,26)/p+2