1-[3-(1-methylpyrrolidin-1-ium-1-yl)propyl]-3-(phenylmethyl)-1-azoniabicyclo[2.2.2]octane

Systemtic Name: 1-[3-(1-methylpyrrolidin-1-ium-1-yl)propyl]-3-(phenylmethyl)-1-azoniabicyclo[2.2.2]octane Openeye Name: 3-benzyl-1-[3-(1-methylpyrrolidin-1-ium-1-yl)propyl]quinuclidin-1-ium CAS Name: 1-[3-(1-methyl-1-pyrrolidin-1-iumyl)propyl]-3-(phenylmethyl)-1-azoniabicyclo[2.2.2]octane IUPAC Name: 3-benzyl-1-[3-(1-methylpyrrolidin-1-ium-1-yl)propyl]-1-azoniabicyclo[2.2.2]octane Traditional Name: 3-benzyl-1-[3-(1-methylpyrrolidin-1-ium-1-yl)propyl]quinuclidin-1-ium Formula: C22H36N2+2 MolecularWeight: 328.53464

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCCC1)CCC[N+]23CCC(CC2)C(C3)CC4=CC=CC=C4

Isomeric SMILES

C[N+]1(CCCC1)CCC[N+]23CCC(CC2)C(C3)CC4=CC=CC=C4

InChI

InChI=1S/C22H36N2/c1-23(12-5-6-13-23)14-7-15-24-16-10-21(11-17-24)22(19-24)18-20-8-3-2-4-9-20/h2-4,8-9,21-22H,5-7,10-19H2,1H3/q+2