1-[[4-[4-(thiophen-2-ylmethyl)piperazin-4-ium-1-yl]carbonylphenyl]methyl]pyrrolidin-2-one

Systemtic Name: 1-[[4-[4-(thiophen-2-ylmethyl)piperazin-4-ium-1-yl]carbonylphenyl]methyl]pyrrolidin-2-one Openeye Name: 1-[[4-[4-(2-thienylmethyl)piperazin-4-ium-1-carbonyl]phenyl]methyl]pyrrolidin-2-one CAS Name: 1-[[4-[oxo-[4-(thiophen-2-ylmethyl)-1-piperazin-4-iumyl]methyl]phenyl]methyl]-2-pyrrolidinone IUPAC Name: 1-[[4-[4-(thiophen-2-ylmethyl)piperazin-4-ium-1-carbonyl]phenyl]methyl]pyrrolidin-2-one Traditional Name: 1-[4-[4-(2-thenyl)piperazin-4-ium-1-carbonyl]benzyl]-2-pyrrolidone Formula: C21H26N3O2S+ MolecularWeight: 384.51504

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)N(C1)CC2=CC=C(C=C2)C(=O)N3CC[NH+](CC3)CC4=CC=CS4

Isomeric SMILES

C1CC(=O)N(C1)CC2=CC=C(C=C2)C(=O)N3CC[NH+](CC3)CC4=CC=CS4

InChI

InChI=1S/C21H25N3O2S/c25-20-4-1-9-24(20)15-17-5-7-18(8-6-17)21(26)23-12-10-22(11-13-23)16-19-3-2-14-27-19/h2-3,5-8,14H,1,4,9-13,15-16H2/p+1