1-[3-[4-(naphthalen-1-ylmethyl)piperazin-4-ium-1-yl]carbonylphenyl]pyrrolidin-2-one

Systemtic Name: 1-[3-[4-(naphthalen-1-ylmethyl)piperazin-4-ium-1-yl]carbonylphenyl]pyrrolidin-2-one Openeye Name: 1-[3-[4-(1-naphthylmethyl)piperazin-4-ium-1-carbonyl]phenyl]pyrrolidin-2-one CAS Name: 1-[3-[[4-(1-naphthalenylmethyl)-1-piperazin-4-iumyl]-oxomethyl]phenyl]-2-pyrrolidinone IUPAC Name: 1-[3-[4-(naphthalen-1-ylmethyl)piperazin-4-ium-1-carbonyl]phenyl]pyrrolidin-2-one Traditional Name: 1-[3-[4-(1-naphthylmethyl)piperazin-4-ium-1-carbonyl]phenyl]-2-pyrrolidone Formula: C26H28N3O2+ MolecularWeight: 414.51942

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H27N3O2/c30-25-12-5-13-29(25)23-10-4-8-21(18-23)26(31)28-16-14-27(15-17-28)19-22-9-3-7-20-6-1-2-11-24(20)22/h1-4,6-11,18H,5,12-17,19H2/p+1