2-[4-(naphthalen-1-ylmethyl)piperazine-1,4-diium-1-yl]-1-pyrrolidin-1-yl-ethanone

Systemtic Name: 2-[4-(naphthalen-1-ylmethyl)piperazine-1,4-diium-1-yl]-1-pyrrolidin-1-yl-ethanone Openeye Name: 2-[4-(1-naphthylmethyl)piperazine-1,4-diium-1-yl]-1-pyrrolidin-1-yl-ethanone CAS Name: 2-[4-(1-naphthalenylmethyl)-1-piperazine-1,4-diiumyl]-1-(1-pyrrolidinyl)ethanone IUPAC Name: 2-[4-(naphthalen-1-ylmethyl)piperazine-1,4-diium-1-yl]-1-pyrrolidin-1-ylethanone Traditional Name: 2-[4-(1-naphthylmethyl)piperazine-1,4-diium-1-yl]-1-pyrrolidino-ethanone Formula: C21H29N3O+2 MolecularWeight: 339.47446

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)C[NH+]2CC[NH+](CC2)CC3=CC=CC4=CC=CC=C43

Isomeric SMILES

C1CCN(C1)C(=O)C[NH+]2CC[NH+](CC2)CC3=CC=CC4=CC=CC=C43

InChI

InChI=1S/C21H27N3O/c25-21(24-10-3-4-11-24)17-23-14-12-22(13-15-23)16-19-8-5-7-18-6-1-2-9-20(18)19/h1-2,5-9H,3-4,10-17H2/p+2