1-(3-oxidanyl-4-phenyl-butyl)-1-[6-(2H-1,2,3,4-tetrazol-5-yl)hexyl]pyrrolidin-1-ium-2-one

Systemtic Name: 1-(3-oxidanyl-4-phenyl-butyl)-1-[6-(2H-1,2,3,4-tetrazol-5-yl)hexyl]pyrrolidin-1-ium-2-one Openeye Name: 1-(3-hydroxy-4-phenyl-butyl)-1-[6-(2H-tetrazol-5-yl)hexyl]pyrrolidin-1-ium-2-one CAS Name: 1-(3-hydroxy-4-phenylbutyl)-1-[6-(2H-tetrazol-5-yl)hexyl]-2-pyrrolidin-1-iumone IUPAC Name: 1-(3-hydroxy-4-phenylbutyl)-1-[6-(2H-tetrazol-5-yl)hexyl]pyrrolidin-1-ium-2-one Traditional Name: 1-(3-hydroxy-4-phenyl-butyl)-1-[6-(2H-tetrazol-5-yl)hexyl]pyrrolidin-1-ium-2-one Formula: C21H32N5O2+ MolecularWeight: 386.51108

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)[N+](C1)(CCCCCCC2=NNN=N2)CCC(CC3=CC=CC=C3)O

Isomeric SMILES

C1CC(=O)[N+](C1)(CCCCCCC2=NNN=N2)CCC(CC3=CC=CC=C3)O

InChI

InChI=1S/C21H32N5O2/c27-19(17-18-9-4-3-5-10-18)13-16-26(15-8-12-21(26)28)14-7-2-1-6-11-20-22-24-25-23-20/h3-5,9-10,19,27H,1-2,6-8,11-17H2,(H,22,23,24,25)/q+1