1-[4-[2-oxidanylidene-2-[4-(thiophen-3-ylmethyl)piperazin-4-ium-1-yl]ethyl]phenyl]pyrrolidin-2-one

Systemtic Name: 1-[4-[2-oxidanylidene-2-[4-(thiophen-3-ylmethyl)piperazin-4-ium-1-yl]ethyl]phenyl]pyrrolidin-2-one Openeye Name: 1-[4-[2-oxo-2-[4-(3-thienylmethyl)piperazin-4-ium-1-yl]ethyl]phenyl]pyrrolidin-2-one CAS Name: 1-[4-[2-oxo-2-[4-(3-thiophenylmethyl)-1-piperazin-4-iumyl]ethyl]phenyl]-2-pyrrolidinone IUPAC Name: 1-[4-[2-oxo-2-[4-(thiophen-3-ylmethyl)piperazin-4-ium-1-yl]ethyl]phenyl]pyrrolidin-2-one Traditional Name: 1-[4-[2-keto-2-[4-(3-thenyl)piperazin-4-ium-1-yl]ethyl]phenyl]-2-pyrrolidone Formula: C21H26N3O2S+ MolecularWeight: 384.51504

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)N(C1)C2=CC=C(C=C2)CC(=O)N3CC[NH+](CC3)CC4=CSC=C4

Isomeric SMILES

C1CC(=O)N(C1)C2=CC=C(C=C2)CC(=O)N3CC[NH+](CC3)CC4=CSC=C4

InChI

InChI=1S/C21H25N3O2S/c25-20-2-1-8-24(20)19-5-3-17(4-6-19)14-21(26)23-11-9-22(10-12-23)15-18-7-13-27-16-18/h3-7,13,16H,1-2,8-12,14-15H2/p+1