N-[4-(2-oxidanylidenepyrrolidin-1-yl)phenyl]-2-[4-(thiophen-2-ylmethyl)piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-[4-(2-oxidanylidenepyrrolidin-1-yl)phenyl]-2-[4-(thiophen-2-ylmethyl)piperazin-1-ium-1-yl]ethanamide Openeye Name: N-[4-(2-oxopyrrolidin-1-yl)phenyl]-2-[4-(2-thienylmethyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-[4-(2-oxo-1-pyrrolidinyl)phenyl]-2-[4-(thiophen-2-ylmethyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-[4-(2-oxopyrrolidin-1-yl)phenyl]-2-[4-(thiophen-2-ylmethyl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-[4-(2-ketopyrrolidino)phenyl]-2-[4-(2-thenyl)piperazin-1-ium-1-yl]acetamide Formula: C21H27N4O2S+ MolecularWeight: 399.52968

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C1CC(=O)N(C1)C2=CC=C(C=C2)NC(=O)C[NH+]3CCN(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+1