5-octoxy-1-oxidanylidene-3-(phenylmethyl)pyrrolidin-1-ium-2-one

Systemtic Name: 5-octoxy-1-oxidanylidene-3-(phenylmethyl)pyrrolidin-1-ium-2-one Openeye Name: 3-benzyl-5-octoxy-1-oxo-pyrrolidin-1-ium-2-one CAS Name: 5-octoxy-1-oxo-3-(phenylmethyl)-2-pyrrolidin-1-iumone IUPAC Name: 3-benzyl-5-octoxy-1-oxopyrrolidin-1-ium-2-one Traditional Name: 3-benzyl-1-keto-5-octoxy-pyrrolidin-1-ium-2-one Formula: C19H28NO3+ MolecularWeight: 318.43052

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1CC(C(=O)[N+]1=O)CC2=CC=CC=C2

Isomeric SMILES

CCCCCCCCOC1CC(C(=O)[N+]1=O)CC2=CC=CC=C2

InChI

InChI=1S/C19H28NO3/c1-2-3-4-5-6-10-13-23-18-15-17(19(21)20(18)22)14-16-11-8-7-9-12-16/h7-9,11-12,17-18H,2-6,10,13-15H2,1H3/q+1