1-[4-[4-(naphthalen-1-ylmethyl)piperazin-4-ium-1-yl]sulfonylphenyl]pyrrolidin-2-one

Systemtic Name: 1-[4-[4-(naphthalen-1-ylmethyl)piperazin-4-ium-1-yl]sulfonylphenyl]pyrrolidin-2-one Openeye Name: 1-[4-[4-(1-naphthylmethyl)piperazin-4-ium-1-yl]sulfonylphenyl]pyrrolidin-2-one CAS Name: 1-[4-[[4-(1-naphthalenylmethyl)-1-piperazin-4-iumyl]sulfonyl]phenyl]-2-pyrrolidinone IUPAC Name: 1-[4-[4-(naphthalen-1-ylmethyl)piperazin-4-ium-1-yl]sulfonylphenyl]pyrrolidin-2-one Traditional Name: 1-[4-[4-(1-naphthylmethyl)piperazin-4-ium-1-yl]sulfonylphenyl]-2-pyrrolidone Formula: C25H28N3O3S+ MolecularWeight: 450.57312

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)N(C1)C2=CC=C(C=C2)S(=O)(=O)N3CC[NH+](CC3)CC4=CC=CC5=CC=CC=C54

Isomeric SMILES

C1CC(=O)N(C1)C2=CC=C(C=C2)S(=O)(=O)N3CC[NH+](CC3)CC4=CC=CC5=CC=CC=C54

InChI

InChI=1S/C25H27N3O3S/c29-25-9-4-14-28(25)22-10-12-23(13-11-22)32(30,31)27-17-15-26(16-18-27)19-21-7-3-6-20-5-1-2-8-24(20)21/h1-3,5-8,10-13H,4,9,14-19H2/p+1