2-octoxy-1-oxidanidyl-1-phenyl-5-(phenylmethyl)pyrrolidin-1-ium

Systemtic Name: 2-octoxy-1-oxidanidyl-1-phenyl-5-(phenylmethyl)pyrrolidin-1-ium Openeye Name: 2-benzyl-5-octoxy-1-oxido-1-phenyl-pyrrolidin-1-ium CAS Name: 2-octoxy-1-oxido-1-phenyl-5-(phenylmethyl)pyrrolidin-1-ium IUPAC Name: 2-benzyl-5-octoxy-1-oxido-1-phenylpyrrolidin-1-ium Traditional Name: 2-benzyl-5-octoxy-1-oxido-1-phenyl-pyrrolidin-1-ium Formula: C25H35NO2 MolecularWeight: 381.5509

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1CCC([N+]1(C2=CC=CC=C2)[O-])CC3=CC=CC=C3

Isomeric SMILES

CCCCCCCCOC1CCC([N+]1(C2=CC=CC=C2)[O-])CC3=CC=CC=C3

InChI

InChI=1S/C25H35NO2/c1-2-3-4-5-6-13-20-28-25-19-18-24(21-22-14-9-7-10-15-22)26(25,27)23-16-11-8-12-17-23/h7-12,14-17,24-25H,2-6,13,18-21H2,1H3