N-[4-(2-oxidanylidenepyrrolidin-1-yl)phenyl]-3-[4-(thiophen-3-ylmethyl)piperazin-4-ium-1-yl]propanamide

Systemtic Name: N-[4-(2-oxidanylidenepyrrolidin-1-yl)phenyl]-3-[4-(thiophen-3-ylmethyl)piperazin-4-ium-1-yl]propanamide Openeye Name: N-[4-(2-oxopyrrolidin-1-yl)phenyl]-3-[4-(3-thienylmethyl)piperazin-4-ium-1-yl]propanamide CAS Name: N-[4-(2-oxo-1-pyrrolidinyl)phenyl]-3-[4-(3-thiophenylmethyl)-1-piperazin-4-iumyl]propanamide IUPAC Name: N-[4-(2-oxopyrrolidin-1-yl)phenyl]-3-[4-(thiophen-3-ylmethyl)piperazin-4-ium-1-yl]propanamide Traditional Name: N-[4-(2-ketopyrrolidino)phenyl]-3-[4-(3-thenyl)piperazin-4-ium-1-yl]propionamide Formula: C22H29N4O2S+ MolecularWeight: 413.55626

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)N(C1)C2=CC=C(C=C2)NC(=O)CCN3CC[NH+](CC3)CC4=CSC=C4

Isomeric SMILES

C1CC(=O)N(C1)C2=CC=C(C=C2)NC(=O)CCN3CC[NH+](CC3)CC4=CSC=C4

InChI

InChI=1S/C22H28N4O2S/c27-21(23-19-3-5-20(6-4-19)26-9-1-2-22(26)28)7-10-24-11-13-25(14-12-24)16-18-8-15-29-17-18/h3-6,8,15,17H,1-2,7,9-14,16H2,(H,23,27)/p+1